[4-methyl-3-(triazol-2-yl)phenyl]methanamine

C10H12N4 — CID 84661540

IUPAC[4-methyl-3-(triazol-2-yl)phenyl]methanamine
SMILESCc1ccc(CN)cc1-n1nccn1
InChIInChI=1S/C10H12N4/c1-8-2-3-9(7-11)6-10(8)14-12-4-5-13-14/h2-6H,7,11H2,1H3
InChIKeyASOCJNVUHBQTRJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds2

About [4-methyl-3-(triazol-2-yl)phenyl]methanamine

[4-methyl-3-(triazol-2-yl)phenyl]methanamine (PubChem CID 84661540) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [4-methyl-3-(triazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(triazol-2-yl)phenyl]methanamine
PubChem CID84661540
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[4-methyl-3-(triazol-2-yl)phenyl]methanamine
SMILESCc1ccc(CN)cc1-n1nccn1
InChIInChI=1S/C10H12N4/c1-8-2-3-9(7-11)6-10(8)14-12-4-5-13-14/h2-6H,7,11H2,1H3
InChIKeyASOCJNVUHBQTRJ-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(triazol-2-yl)phenol
CID 84662586
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione
CID 107409368
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
CID 79687008
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 62103760
(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
4-(aminomethyl)-2-methylaniline
CID 18727732
2-(4-fluoro-2-methylphenyl)triazole
CID 69088112
5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
CID 82506416
(2-methyl-4-pyridinyl)methanamine;hydrobromide
CID 133056963

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(triazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-methyl-3-(triazol-2-yl)phenyl]methanamine (CID 84661540) is [4-methyl-3-(triazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-(triazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-methyl-3-(triazol-2-yl)phenyl]methanamine is Cc1ccc(CN)cc1-n1nccn1.
What is the InChIKey of [4-methyl-3-(triazol-2-yl)phenyl]methanamine?
The InChIKey is ASOCJNVUHBQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-2-3-9(7-11)6-10(8)14-12-4-5-13-14/h2-6H,7,11H2,1H3.
What are the key properties of [4-methyl-3-(triazol-2-yl)phenyl]methanamine?
[4-methyl-3-(triazol-2-yl)phenyl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(triazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 84661540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).