N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide

C10H15N7O — CID 91838409

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nc(N)n[nH]1)n1cccn1
InChIInChI=1S/C10H15N7O/c1-2-7(17-5-3-4-13-17)9(18)12-6-8-14-10(11)16-15-8/h3-5,7H,2,6H2,1H3,(H,12,18)(H3,11,14,15,16)
InChIKeyDERYPINTMLNVAI-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.15
Rot. Bonds5

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 91838409) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID91838409
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nc(N)n[nH]1)n1cccn1
InChIInChI=1S/C10H15N7O/c1-2-7(17-5-3-4-13-17)9(18)12-6-8-14-10(11)16-15-8/h3-5,7H,2,6H2,1H3,(H,12,18)(H3,11,14,15,16)
InChIKeyDERYPINTMLNVAI-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 91838409) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1nc(N)n[nH]1)n1cccn1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is DERYPINTMLNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-2-7(17-5-3-4-13-17)9(18)12-6-8-14-10(11)16-15-8/h3-5,7H,2,6H2,1H3,(H,12,18)(H3,11,14,15,16).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 249.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 91838409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).