1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine

C8H10N6 — CID 163983835

IUPAC1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine
SMILESCNc1ccc(-c2nn[nH]n2)cc1N
InChIInChI=1S/C8H10N6/c1-10-7-3-2-5(4-6(7)9)8-11-13-14-12-8/h2-4,10H,9H2,1H3,(H,11,12,13,14)
InChIKeyTUOVDXCOJQRPNQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.49
Rot. Bonds2

About 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine

1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine (PubChem CID 163983835) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine
PubChem CID163983835
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine
SMILESCNc1ccc(-c2nn[nH]n2)cc1N
InChIInChI=1S/C8H10N6/c1-10-7-3-2-5(4-6(7)9)8-11-13-14-12-8/h2-4,10H,9H2,1H3,(H,11,12,13,14)
InChIKeyTUOVDXCOJQRPNQ-UHFFFAOYSA-N
XLogP0.49
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine (CID 163983835) is 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine is CNc1ccc(-c2nn[nH]n2)cc1N.
What is the InChIKey of 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine?
The InChIKey is TUOVDXCOJQRPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-10-7-3-2-5(4-6(7)9)8-11-13-14-12-8/h2-4,10H,9H2,1H3,(H,11,12,13,14).
What are the key properties of 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine?
1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-(2H-tetrazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 163983835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).