N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine

C12H16N4 — CID 115029765

IUPACN-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1nc(C)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H16N4/c1-9-4-6-11(7-5-9)16-10(2)14-12(15-16)8-13-3/h4-7,13H,8H2,1-3H3
InChIKeyKDKFPNTYJOFZFX-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.60
Rot. Bonds3

About N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine

N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 115029765) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID115029765
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1nc(C)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H16N4/c1-9-4-6-11(7-5-9)16-10(2)14-12(15-16)8-13-3/h4-7,13H,8H2,1-3H3
InChIKeyKDKFPNTYJOFZFX-UHFFFAOYSA-N
XLogP1.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol
CID 115030668
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-methyl-1-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 72716180
N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 63772920
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 82471672
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
3-iodo-5-methyl-1-(4-methylphenyl)pyrazole
CID 145470553
4-(3,5-dimethyl-1,2,4-triazol-1-yl)aniline
CID 59974876
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 115029765) is N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine is CNCc1nc(C)n(-c2ccc(C)cc2)n1.
What is the InChIKey of N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is KDKFPNTYJOFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-6-11(7-5-9)16-10(2)14-12(15-16)8-13-3/h4-7,13H,8H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115029765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).