4-(1-methyltetrazol-5-yl)benzene-1,3-diamine

C8H10N6 — CID 61352453

IUPAC4-(1-methyltetrazol-5-yl)benzene-1,3-diamine
SMILESCn1nnnc1-c1ccc(N)cc1N
InChIInChI=1S/C8H10N6/c1-14-8(11-12-13-14)6-3-2-5(9)4-7(6)10/h2-4H,9-10H2,1H3
InChIKeyJBNQEJQMMZFHDZ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.04
Rot. Bonds1

About 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine

4-(1-methyltetrazol-5-yl)benzene-1,3-diamine (PubChem CID 61352453) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)benzene-1,3-diamine
PubChem CID61352453
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-(1-methyltetrazol-5-yl)benzene-1,3-diamine
SMILESCn1nnnc1-c1ccc(N)cc1N
InChIInChI=1S/C8H10N6/c1-14-8(11-12-13-14)6-3-2-5(9)4-7(6)10/h2-4H,9-10H2,1H3
InChIKeyJBNQEJQMMZFHDZ-UHFFFAOYSA-N
XLogP0.04
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine?
The IUPAC name of 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine (CID 61352453) is 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine is Cn1nnnc1-c1ccc(N)cc1N.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine?
The InChIKey is JBNQEJQMMZFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-14-8(11-12-13-14)6-3-2-5(9)4-7(6)10/h2-4H,9-10H2,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine?
4-(1-methyltetrazol-5-yl)benzene-1,3-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 61352453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).