[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol

C11H14N4O — CID 62757407

IUPAC[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
SMILESCn1cc(CNc2cccc(CO)c2)nn1
InChIInChI=1S/C11H14N4O/c1-15-7-11(13-14-15)6-12-10-4-2-3-9(5-10)8-16/h2-5,7,12,16H,6,8H2,1H3
InChIKeyQBURJRKVWIMOPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.92
Rot. Bonds4

About [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol

[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol (PubChem CID 62757407) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
PubChem CID62757407
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
SMILESCn1cc(CNc2cccc(CO)c2)nn1
InChIInChI=1S/C11H14N4O/c1-15-7-11(13-14-15)6-12-10-4-2-3-9(5-10)8-16/h2-5,7,12,16H,6,8H2,1H3
InChIKeyQBURJRKVWIMOPQ-UHFFFAOYSA-N
XLogP0.92
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylaniline
CID 62756845
3-N,3-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,3-diamine
CID 113297450
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol
CID 75516751
N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62755251
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
CID 62757748
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol (CID 62757407) is [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol is Cn1cc(CNc2cccc(CO)c2)nn1.
What is the InChIKey of [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol?
The InChIKey is QBURJRKVWIMOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-7-11(13-14-15)6-12-10-4-2-3-9(5-10)8-16/h2-5,7,12,16H,6,8H2,1H3.
What are the key properties of [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol?
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol has a molecular weight of 218.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 62757407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).