| CAS Number | 1111638-49-3 |
| Catalog Number | AG0099G4(AGN-PC-0WCY6G) |
| Chemical Name | 4-(Pyrimidin-4-YL)-1H-pyrazol-5-amine |
| IUPAC Name | 4-pyrimidin-4-yl-1H-pyrazol-5-amine |
| InChI | InChI=1S/C7H7N5/c8-7-5(3-11-12-7)6-1-2-9-4-10-6/h1-4H,(H3,8,11,12) |
| InChI Key | OVZZROYLEOBVGC-UHFFFAOYSA-N |
| MDL Number | MFCD17926256 |
| Molecular Formula | C7H7N5 |
| Molecular Weight | 161.1640 |
| SMILES | NC1=C(C=NN1)C1=CC=NC=N1 |
| Synonyms | 4-(PYRIMIDIN-4-YL)-1H-PYRAZOL-5-AMINE,
1111638-49-3,
SCHEMBL2955534,
DTXSID20695033,
MFCD17926256,
ZINC66054601,
FCH1154157,
AK203510,
AS-35564,
4-pyrimidin-4-yl-1H-pyrazol-5-amine,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.168g/mol |
| Monoisotopic Mass | 161.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number