N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline

C10H12N4 — CID 3322898

IUPACN-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCNc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C10H12N4/c1-11-10-4-2-9(3-5-10)6-14-8-12-7-13-14/h2-5,7-8,11H,6H2,1H3
InChIKeyMSZOCLIGUCYDIA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.37
Rot. Bonds3

About N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline

N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 3322898) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID3322898
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCNc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C10H12N4/c1-11-10-4-2-9(3-5-10)6-14-8-12-7-13-14/h2-5,7-8,11H,6H2,1H3
InChIKeyMSZOCLIGUCYDIA-UHFFFAOYSA-N
XLogP1.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
4-(1,2,4-triazol-1-ylmethyl)aniline
CID 821219
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
CID 7162035
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(3-methoxybutan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 115928776
3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034
N-[(3-methylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 66116387
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64917969
N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673373

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 3322898) is N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline is CNc1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is MSZOCLIGUCYDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-10-4-2-9(3-5-10)6-14-8-12-7-13-14/h2-5,7-8,11H,6H2,1H3.
What are the key properties of N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 188.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 3322898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).