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

C10H15N7O — CID 56862787

IUPAC3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(CCn1cccn1)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H15N7O/c1-7(3-6-17-5-2-4-12-17)13-9(18)8-14-10(11)16-15-8/h2,4-5,7H,3,6H2,1H3,(H,13,18)(H3,11,14,15,16)
InChIKeyBXBQKOKPRAZMDO-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.21
Rot. Bonds5

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

3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 56862787) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID56862787
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(CCn1cccn1)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H15N7O/c1-7(3-6-17-5-2-4-12-17)13-9(18)8-14-10(11)16-15-8/h2,4-5,7H,3,6H2,1H3,(H,13,18)(H3,11,14,15,16)
InChIKeyBXBQKOKPRAZMDO-UHFFFAOYSA-N
XLogP-0.21
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53572990
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53573041
N-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821801
N-[3-(1H-pyrazol-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583882
2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 45834453
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53606012
4-(1H-pyrazol-1-yl)-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 71709718
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894757
N-(2-cyclopentylpyrazol-3-yl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)acetamide
CID 71973384
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(1H-pyrazol-1-yl)butanamide
CID 72872741
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide
CID 86772397
3-methyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 86815398

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 56862787) is 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CC(CCn1cccn1)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BXBQKOKPRAZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-7(3-6-17-5-2-4-12-17)13-9(18)8-14-10(11)16-15-8/h2,4-5,7H,3,6H2,1H3,(H,13,18)(H3,11,14,15,16).
What are the key properties of 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 249.28 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-pyrazol-1-ylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 56862787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).