[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine

C15H22N4O — CID 107655986

IUPAC[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine
SMILESCc1ccc(CN)cc1OCc1ncnn1CC(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)8-19-15(17-10-18-19)9-20-14-6-13(7-16)5-4-12(14)3/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyGCXPAOBFOWLDLQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.28
Rot. Bonds6

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

[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine (PubChem CID 107655986) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine
PubChem CID107655986
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine
SMILESCc1ccc(CN)cc1OCc1ncnn1CC(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)8-19-15(17-10-18-19)9-20-14-6-13(7-16)5-4-12(14)3/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyGCXPAOBFOWLDLQ-UHFFFAOYSA-N
XLogP2.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]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

5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462
[2-chloro-6-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine
CID 114318320
5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 114320715
1-(3-chloro-4-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999957
2-(bromomethyl)-5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]pyridine
CID 79799849
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 107655968
1-(2,5-dimethylphenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 115814360
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]pyridine-2-carboxylic acid
CID 79794957
1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole
CID 126810867
2-chloro-6-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]benzenecarboximidamide
CID 114323523

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine?
The IUPAC name of [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine (CID 107655986) is [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine?
The canonical SMILES for [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine is Cc1ccc(CN)cc1OCc1ncnn1CC(C)C.
What is the InChIKey of [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine?
The InChIKey is GCXPAOBFOWLDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)8-19-15(17-10-18-19)9-20-14-6-13(7-16)5-4-12(14)3/h4-6,10-11H,7-9,16H2,1-3H3.
What are the key properties of [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine?
[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine is sourced from PubChem (CID 107655986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).