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

C13H18N4 — CID 103884413

IUPAC1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ncn(C)n2)cc1C
InChIInChI=1S/C13H18N4/c1-10-4-5-12(6-11(10)2)7-14-8-13-15-9-17(3)16-13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyYLUZFHCRCHKXKZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 103884413) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID103884413
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ncn(C)n2)cc1C
InChIInChI=1S/C13H18N4/c1-10-4-5-12(6-11(10)2)7-14-8-13-15-9-17(3)16-13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyYLUZFHCRCHKXKZ-UHFFFAOYSA-N
XLogP1.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884423
4-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzene-1,2-diol
CID 103953804
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884310
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 102672727
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
1-(3,4-dimethylphenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 138006353
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
1-(2-bromo-5-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884449

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 103884413) is 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1ccc(CNCc2ncn(C)n2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is YLUZFHCRCHKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-4-5-12(6-11(10)2)7-14-8-13-15-9-17(3)16-13/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 103884413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).