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

C7H8N6 — CID 12803201

IUPAC4-(5H-tetrazol-5-yl)benzene-1,2-diamine
SMILESNc1ccc(C2N=NN=N2)cc1N
InChIInChI=1S/C7H8N6/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3,7H,8-9H2
InChIKeyLZYSEPHZYCZZMW-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.68
Rot. Bonds1

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

4-(5H-tetrazol-5-yl)benzene-1,2-diamine (PubChem CID 12803201) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(5H-tetrazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(5H-tetrazol-5-yl)benzene-1,2-diamine
PubChem CID12803201
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name4-(5H-tetrazol-5-yl)benzene-1,2-diamine
SMILESNc1ccc(C2N=NN=N2)cc1N
InChIInChI=1S/C7H8N6/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3,7H,8-9H2
InChIKeyLZYSEPHZYCZZMW-UHFFFAOYSA-N
XLogP1.68
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diaminotoluene
CID 10332
2,3-Diaminotoluene
CID 17593
3,3'-Diaminobenzidine
CID 7071
4,5-Dimethyl-1,2-phenylenediamine
CID 76635
2-(P-Tolylazo)-P-toluidine
CID 571869
4-Trifluoromethyl-1,2-phenylenediamine
CID 520822
4-Butyl-1,2-benzenediamine
CID 19313
4-Aminobenzylamine
CID 427814
3-Aminobenzylamine
CID 4628831
3,4-Diaminobenzonitrile
CID 737285
4-(Propan-2-yl)benzene-1,2-diamine
CID 5097028
4-Ethylbenzene-1,2-diamine
CID 12373213

Frequently Asked Questions

What is the IUPAC name of 4-(5H-tetrazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 4-(5H-tetrazol-5-yl)benzene-1,2-diamine (CID 12803201) is 4-(5H-tetrazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(5H-tetrazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(5H-tetrazol-5-yl)benzene-1,2-diamine is Nc1ccc(C2N=NN=N2)cc1N.
What is the InChIKey of 4-(5H-tetrazol-5-yl)benzene-1,2-diamine?
The InChIKey is LZYSEPHZYCZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3,7H,8-9H2.
What are the key properties of 4-(5H-tetrazol-5-yl)benzene-1,2-diamine?
4-(5H-tetrazol-5-yl)benzene-1,2-diamine has a molecular weight of 176.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-tetrazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 12803201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).