4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide

C8H9N7O — CID 114386738

IUPAC4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1nccnn1
InChIInChI=1S/C8H9N7O/c1-15-6(5(9)4-12-15)7(16)13-8-10-2-3-11-14-8/h2-4H,9H2,1H3,(H,10,13,14,16)
InChIKeyDQXDFWJGLJEZDS-UHFFFAOYSA-N
MW219.21 g/mol
LogP-0.56
Rot. Bonds2

About 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide (PubChem CID 114386738) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide
PubChem CID114386738
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1nccnn1
InChIInChI=1S/C8H9N7O/c1-15-6(5(9)4-12-15)7(16)13-8-10-2-3-11-14-8/h2-4H,9H2,1H3,(H,10,13,14,16)
InChIKeyDQXDFWJGLJEZDS-UHFFFAOYSA-N
XLogP-0.56
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 65355663
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide
CID 114386772
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
CID 65356183
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 106179894
4-amino-N-[4-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65355685
4-amino-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 104616173

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide (CID 114386738) is 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)Nc1nccnn1.
What is the InChIKey of 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide?
The InChIKey is DQXDFWJGLJEZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O/c1-15-6(5(9)4-12-15)7(16)13-8-10-2-3-11-14-8/h2-4H,9H2,1H3,(H,10,13,14,16).
What are the key properties of 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide has a molecular weight of 219.21 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1,2,4-triazin-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 114386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).