5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine

C7H12N8 — CID 574046

IUPAC5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCCc2nc(N)n[nH]2)n1
InChIInChI=1S/C7H12N8/c8-6-10-4(12-14-6)2-1-3-5-11-7(9)15-13-5/h1-3H2,(H3,8,10,12,14)(H3,9,11,13,15)
InChIKeyCIALMEYJVQCAPV-UHFFFAOYSA-N
MW208.23 g/mol
LogP-0.74
Rot. Bonds4

About 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine

5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine (PubChem CID 574046) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine
PubChem CID574046
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCCc2nc(N)n[nH]2)n1
InChIInChI=1S/C7H12N8/c8-6-10-4(12-14-6)2-1-3-5-11-7(9)15-13-5/h1-3H2,(H3,8,10,12,14)(H3,9,11,13,15)
InChIKeyCIALMEYJVQCAPV-UHFFFAOYSA-N
XLogP-0.74
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine 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 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine (CID 574046) is 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(CCCc2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is CIALMEYJVQCAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c8-6-10-4(12-14-6)2-1-3-5-11-7(9)15-13-5/h1-3H2,(H3,8,10,12,14)(H3,9,11,13,15).
What are the key properties of 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine?
5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 208.23 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 574046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).