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

C13H18N4O — CID 103884557

IUPAC1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOCc1ccc(CNCc2ncn(C)n2)cc1
InChIInChI=1S/C13H18N4O/c1-17-10-15-13(16-17)8-14-7-11-3-5-12(6-4-11)9-18-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyUJPBKXXRAXTGOH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.25
Rot. Bonds6

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

1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 103884557) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID103884557
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOCc1ccc(CNCc2ncn(C)n2)cc1
InChIInChI=1S/C13H18N4O/c1-17-10-15-13(16-17)8-14-7-11-3-5-12(6-4-11)9-18-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyUJPBKXXRAXTGOH-UHFFFAOYSA-N
XLogP1.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine 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

1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884413
4-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzene-1,2-diol
CID 103953804
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
1-(4-fluoro-3-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884423
1-[4-(methoxymethyl)phenyl]-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119138512
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884310
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 106598278
2-methoxy-6-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884327

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 103884557) is 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is COCc1ccc(CNCc2ncn(C)n2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is UJPBKXXRAXTGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-10-15-13(16-17)8-14-7-11-3-5-12(6-4-11)9-18-2/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 103884557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).