4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide

C9H12N6O — CID 71709718

IUPAC4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCn1cccn1)Nc1ncn[nH]1
InChIInChI=1S/C9H12N6O/c16-8(13-9-10-7-11-14-9)3-1-5-15-6-2-4-12-15/h2,4,6-7H,1,3,5H2,(H2,10,11,13,14,16)
InChIKeyQDMSNPOHBHVGTD-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.42
Rot. Bonds5

About 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide

4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 71709718) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID71709718
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCn1cccn1)Nc1ncn[nH]1
InChIInChI=1S/C9H12N6O/c16-8(13-9-10-7-11-14-9)3-1-5-15-6-2-4-12-15/h2,4,6-7H,1,3,5H2,(H2,10,11,13,14,16)
InChIKeyQDMSNPOHBHVGTD-UHFFFAOYSA-N
XLogP0.42
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide 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 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 71709718) is 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide is O=C(CCCn1cccn1)Nc1ncn[nH]1.
What is the InChIKey of 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is QDMSNPOHBHVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-8(13-9-10-7-11-14-9)3-1-5-15-6-2-4-12-15/h2,4,6-7H,1,3,5H2,(H2,10,11,13,14,16).
What are the key properties of 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 220.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 71709718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).