3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide

C9H13N7O — CID 104618246

IUPAC3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2nc(N)n[nH]2)n[nH]1
InChIInChI=1S/C9H13N7O/c1-2-3-5-4-6(14-13-5)11-8(17)7-12-9(10)16-15-7/h4H,2-3H2,1H3,(H3,10,12,15,16)(H2,11,13,14,17)
InChIKeyRNWQYKPDYVTIOS-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.31
Rot. Bonds4

About 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 104618246) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID104618246
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2nc(N)n[nH]2)n[nH]1
InChIInChI=1S/C9H13N7O/c1-2-3-5-4-6(14-13-5)11-8(17)7-12-9(10)16-15-7/h4H,2-3H2,1H3,(H3,10,12,15,16)(H2,11,13,14,17)
InChIKeyRNWQYKPDYVTIOS-UHFFFAOYSA-N
XLogP0.31
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
4-amino-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 104616173
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide (CID 104618246) is 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide is CCCc1cc(NC(=O)c2nc(N)n[nH]2)n[nH]1.
What is the InChIKey of 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RNWQYKPDYVTIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-2-3-5-4-6(14-13-5)11-8(17)7-12-9(10)16-15-7/h4H,2-3H2,1H3,(H3,10,12,15,16)(H2,11,13,14,17).
What are the key properties of 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 104618246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).