(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine

C2H4N4 — CID 71313376

IUPAC(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
SMILESN[13c]1n[13cH][15n][15nH]1
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)/i1+1,2+1,5+1,6+1
InChIKeyKLSJWNVTNUYHDU-MAUGHLKVSA-N
MW88.05 g/mol
LogP-0.61
Rot. Bonds

About (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine

(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine (PubChem CID 71313376) has the molecular formula C2H4N4 and a molecular weight of 88.05 g/mol. Its IUPAC name is (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
PubChem CID71313376
Molecular FormulaC2H4N4
Molecular Weight88.05 g/mol
Exact Mass88.04
IUPAC Name(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
SMILESN[13c]1n[13cH][15n][15nH]1
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)/i1+1,2+1,5+1,6+1
InChIKeyKLSJWNVTNUYHDU-MAUGHLKVSA-N
XLogP-0.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.05
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-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 (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine?
The IUPAC name of (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine (CID 71313376) is (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine.
What is the SMILES notation for (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine?
The canonical SMILES for (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine is N[13c]1n[13cH][15n][15nH]1.
What is the InChIKey of (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine?
The InChIKey is KLSJWNVTNUYHDU-MAUGHLKVSA-N. The full InChI is InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)/i1+1,2+1,5+1,6+1.
What are the key properties of (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine?
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine has a molecular weight of 88.05 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 71313376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).