1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole

C7H10N6 — CID 3785566

IUPAC1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
SMILESCCC(n1cncn1)n1cncn1
InChIInChI=1S/C7H10N6/c1-2-7(12-5-8-3-10-12)13-6-9-4-11-13/h3-7H,2H2,1H3
InChIKeyJNQVTCYNVPSPRF-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.33
Rot. Bonds3

About 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole

1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole (PubChem CID 3785566) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
PubChem CID3785566
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
SMILESCCC(n1cncn1)n1cncn1
InChIInChI=1S/C7H10N6/c1-2-7(12-5-8-3-10-12)13-6-9-4-11-13/h3-7H,2H2,1H3
InChIKeyJNQVTCYNVPSPRF-UHFFFAOYSA-N
XLogP0.33
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole 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 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole (CID 3785566) is 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole is CCC(n1cncn1)n1cncn1.
What is the InChIKey of 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
The InChIKey is JNQVTCYNVPSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-2-7(12-5-8-3-10-12)13-6-9-4-11-13/h3-7H,2H2,1H3.
What are the key properties of 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole?
1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole has a molecular weight of 178.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 3785566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).