5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine

C3H6N10 — CID 133188548

IUPAC5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine
SMILES[H]/N=c1/n(-c2nn[nH]n2)nc(N)n1N
InChIInChI=1S/C3H6N10/c4-1-9-13(2(5)12(1)6)3-7-10-11-8-3/h5H,6H2,(H2,4,9)(H,7,8,10,11)/b5-2+
InChIKeyIVNGUHISXULDEA-GORDUTHDSA-N
MW182.15 g/mol
LogP-3.04
Rot. Bonds1

About 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine

5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine (PubChem CID 133188548) has the molecular formula C3H6N10 and a molecular weight of 182.15 g/mol. Its IUPAC name is 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine
PubChem CID133188548
Molecular FormulaC3H6N10
Molecular Weight182.15 g/mol
Exact Mass182.08
IUPAC Name5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine
SMILES[H]/N=c1/n(-c2nn[nH]n2)nc(N)n1N
InChIInChI=1S/C3H6N10/c4-1-9-13(2(5)12(1)6)3-7-10-11-8-3/h5H,6H2,(H2,4,9)(H,7,8,10,11)/b5-2+
InChIKeyIVNGUHISXULDEA-GORDUTHDSA-N
XLogP-3.04
TPSA153.10 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-3.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine 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-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine (CID 133188548) is 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine is [H]/N=c1/n(-c2nn[nH]n2)nc(N)n1N.
What is the InChIKey of 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine?
The InChIKey is IVNGUHISXULDEA-GORDUTHDSA-N. The full InChI is InChI=1S/C3H6N10/c4-1-9-13(2(5)12(1)6)3-7-10-11-8-3/h5H,6H2,(H2,4,9)(H,7,8,10,11)/b5-2+.
What are the key properties of 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine?
5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine has a molecular weight of 182.15 g/mol, XLogP of -3.04, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-(2H-tetrazol-5-yl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 133188548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).