[1-(2-methylphenyl)tetrazol-5-yl]methanamine

C9H11N5 — CID 62737009

IUPAC[1-(2-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1ccccc1-n1nnnc1CN
InChIInChI=1S/C9H11N5/c1-7-4-2-3-5-8(7)14-9(6-10)11-12-13-14/h2-5H,6,10H2,1H3
InChIKeyKCQWQYGEZKIZCK-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.43
Rot. Bonds2

About [1-(2-methylphenyl)tetrazol-5-yl]methanamine

[1-(2-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 62737009) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [1-(2-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID62737009
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[1-(2-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1ccccc1-n1nnnc1CN
InChIInChI=1S/C9H11N5/c1-7-4-2-3-5-8(7)14-9(6-10)11-12-13-14/h2-5H,6,10H2,1H3
InChIKeyKCQWQYGEZKIZCK-UHFFFAOYSA-N
XLogP0.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2-methylphenyl)tetrazol-5-yl]methanamine (CID 62737009) is [1-(2-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-methylphenyl)tetrazol-5-yl]methanamine is Cc1ccccc1-n1nnnc1CN.
What is the InChIKey of [1-(2-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is KCQWQYGEZKIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-4-2-3-5-8(7)14-9(6-10)11-12-13-14/h2-5H,6,10H2,1H3.
What are the key properties of [1-(2-methylphenyl)tetrazol-5-yl]methanamine?
[1-(2-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62737009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).