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

C12H16N4 — CID 82471565

IUPACN-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1nncn1Cc1ccccc1C
InChIInChI=1S/C12H16N4/c1-10-5-3-4-6-11(10)8-16-9-14-15-12(16)7-13-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRYZUYSHYYWWAMS-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.35
Rot. Bonds4

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

N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 82471565) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID82471565
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1nncn1Cc1ccccc1C
InChIInChI=1S/C12H16N4/c1-10-5-3-4-6-11(10)8-16-9-14-15-12(16)7-13-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyRYZUYSHYYWWAMS-UHFFFAOYSA-N
XLogP1.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2-methylphenyl)methyl]-1,2,4-triazole
CID 63385384
4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 115394754
1-[4-(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 82479327
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965
1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 75441441
3-[2-(2-methylphenyl)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 115393901
N-methyl-1-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 72716180
3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394894
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468
1,2-dimethyl-3-[(2-methylphenyl)methyl]imidazol-1-ium
CID 785054
N-methyl-1-[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methanamine
CID 55048706
1,2-bis[(2-methylphenyl)methyl]guanidine
CID 19974401

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 82471565) is N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine is CNCc1nncn1Cc1ccccc1C.
What is the InChIKey of N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is RYZUYSHYYWWAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-5-3-4-6-11(10)8-16-9-14-15-12(16)7-13-2/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82471565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).