[2-(5-methyltetrazol-1-yl)phenyl]methanamine

C9H11N5 — CID 82504565

IUPAC[2-(5-methyltetrazol-1-yl)phenyl]methanamine
SMILESCc1nnnn1-c1ccccc1CN
InChIInChI=1S/C9H11N5/c1-7-11-12-13-14(7)9-5-3-2-4-8(9)6-10/h2-5H,6,10H2,1H3
InChIKeyJNSPXTJCLIHYNN-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.43
Rot. Bonds2

About [2-(5-methyltetrazol-1-yl)phenyl]methanamine

[2-(5-methyltetrazol-1-yl)phenyl]methanamine (PubChem CID 82504565) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [2-(5-methyltetrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(5-methyltetrazol-1-yl)phenyl]methanamine
PubChem CID82504565
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[2-(5-methyltetrazol-1-yl)phenyl]methanamine
SMILESCc1nnnn1-c1ccccc1CN
InChIInChI=1S/C9H11N5/c1-7-11-12-13-14(7)9-5-3-2-4-8(9)6-10/h2-5H,6,10H2,1H3
InChIKeyJNSPXTJCLIHYNN-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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Related Compounds

[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
[3-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504564
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 62129889
3-methyl-4-(5-methyltetrazol-1-yl)aniline
CID 3186687
2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 95390659
[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
CID 105486775
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide
CID 91823247

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyltetrazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-(5-methyltetrazol-1-yl)phenyl]methanamine (CID 82504565) is [2-(5-methyltetrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(5-methyltetrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(5-methyltetrazol-1-yl)phenyl]methanamine is Cc1nnnn1-c1ccccc1CN.
What is the InChIKey of [2-(5-methyltetrazol-1-yl)phenyl]methanamine?
The InChIKey is JNSPXTJCLIHYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-11-12-13-14(7)9-5-3-2-4-8(9)6-10/h2-5H,6,10H2,1H3.
What are the key properties of [2-(5-methyltetrazol-1-yl)phenyl]methanamine?
[2-(5-methyltetrazol-1-yl)phenyl]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 [2-(5-methyltetrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 82504565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).