[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine

C10H12N4 — CID 84661549

IUPAC[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCc1ccc(-n2cnnc2)cc1CN
InChIInChI=1S/C10H12N4/c1-8-2-3-10(4-9(8)5-11)14-6-12-13-7-14/h2-4,6-7H,5,11H2,1H3
InChIKeyGTSQBJAYJJZHGR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds2

About [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine

[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine (PubChem CID 84661549) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
PubChem CID84661549
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
SMILESCc1ccc(-n2cnnc2)cc1CN
InChIInChI=1S/C10H12N4/c1-8-2-3-10(4-9(8)5-11)14-6-12-13-7-14/h2-4,6-7H,5,11H2,1H3
InChIKeyGTSQBJAYJJZHGR-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

(2-methyl-5-pyrrol-1-ylphenyl)methanamine
CID 83636499
[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82506426
[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82504473
2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
2-methyl-5-(1,2,4-triazol-4-yl)benzoic acid
CID 63652848
[2-methyl-5-(4-methylphenyl)phenyl]methanamine
CID 115027522
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine
CID 82472948
(2-methyl-5-trimethylsilyloxyphenyl)methanamine
CID 167728476
2-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]isoindole-1,3-dione
CID 168516879
[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine
CID 101201499
[5-fluoro-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82016594

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine (CID 84661549) is [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine is Cc1ccc(-n2cnnc2)cc1CN.
What is the InChIKey of [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
The InChIKey is GTSQBJAYJJZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-2-3-10(4-9(8)5-11)14-6-12-13-7-14/h2-4,6-7H,5,11H2,1H3.
What are the key properties of [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine?
[2-methyl-5-(1,2,4-triazol-4-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 [2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 84661549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).