2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine

C8H10N6 — CID 19970907

IUPAC2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine
SMILESCn1nnnc1Nc1ccccc1N
InChIInChI=1S/C8H10N6/c1-14-8(11-12-13-14)10-7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H,10,11,13)
InChIKeyRQJYOKVMTUFXPX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.54
Rot. Bonds2

About 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine

2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine (PubChem CID 19970907) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine
PubChem CID19970907
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine
SMILESCn1nnnc1Nc1ccccc1N
InChIInChI=1S/C8H10N6/c1-14-8(11-12-13-14)10-7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H,10,11,13)
InChIKeyRQJYOKVMTUFXPX-UHFFFAOYSA-N
XLogP0.54
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-(1-methyltetrazol-5-yl)benzene-1,2-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 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine (CID 19970907) is 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine is Cn1nnnc1Nc1ccccc1N.
What is the InChIKey of 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine?
The InChIKey is RQJYOKVMTUFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-14-8(11-12-13-14)10-7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H,10,11,13).
What are the key properties of 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine?
2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 19970907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).