3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol

C14H20N4O — CID 66269485

IUPAC3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1cccc(CNCc2cn(CCCO)nn2)c1
InChIInChI=1S/C14H20N4O/c1-12-4-2-5-13(8-12)9-15-10-14-11-18(17-16-14)6-3-7-19/h2,4-5,8,11,15,19H,3,6-7,9-10H2,1H3
InChIKeyNHJRRIQWLJLORX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds7

About 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269485) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269485
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCc1cccc(CNCc2cn(CCCO)nn2)c1
InChIInChI=1S/C14H20N4O/c1-12-4-2-5-13(8-12)9-15-10-14-11-18(17-16-14)6-3-7-19/h2,4-5,8,11,15,19H,3,6-7,9-10H2,1H3
InChIKeyNHJRRIQWLJLORX-UHFFFAOYSA-N
XLogP1.26
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268557
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]methyl]benzonitrile
CID 66268935
3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268156
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268569
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66270581
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol (CID 66269485) is 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol is Cc1cccc(CNCc2cn(CCCO)nn2)c1.
What is the InChIKey of 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is NHJRRIQWLJLORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12-4-2-5-13(8-12)9-15-10-14-11-18(17-16-14)6-3-7-19/h2,4-5,8,11,15,19H,3,6-7,9-10H2,1H3.
What are the key properties of 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).