[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol

C15H14N4O — CID 56686681

IUPAC[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2-c2ccccn2)cc1
InChIInChI=1S/C15H14N4O/c1-11-5-7-12(8-6-11)19-15(14(10-20)17-18-19)13-4-2-3-9-16-13/h2-9,20H,10H2,1H3
InChIKeyCEEJHWVJLHSANX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.13
Rot. Bonds3

About [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol

[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol (PubChem CID 56686681) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol
PubChem CID56686681
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2-c2ccccn2)cc1
InChIInChI=1S/C15H14N4O/c1-11-5-7-12(8-6-11)19-15(14(10-20)17-18-19)13-4-2-3-9-16-13/h2-9,20H,10H2,1H3
InChIKeyCEEJHWVJLHSANX-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
1-(4-ethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 24277897
[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474092
(2S)-2-[4-[(1S)-1-[(E)-4-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)butan-2-ylideneamino]oxyethyl]triazol-1-yl]-3-phenylpropan-1-ol
CID 9556003
(2S)-2-[4-[(1R)-1-[(E)-4-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)butan-2-ylideneamino]oxyethyl]triazol-1-yl]-3-phenylpropan-1-ol
CID 9556007
1-(4-ethylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53331239
1-(1-Pyridin-4-yltriazol-4-yl)cyclohexan-1-ol
CID 90643451
[5-(Pyridin-3-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl]methanol
CID 97413546
[4-(1-Pyridin-3-yltriazol-4-yl)phenyl]methanol
CID 162659396
2-[1-(4-Ethylphenyl)triazol-4-yl]pyridine
CID 172435330
2-(1-(1-Methylethyl)-1H-pyrazol-5-yl)-3-pyridinemethanol
CID 89654758
3-{methyl[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino}-1-phenyl-1-propanol
CID 56889521

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol (CID 56686681) is [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol is Cc1ccc(-n2nnc(CO)c2-c2ccccn2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
The InChIKey is CEEJHWVJLHSANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-5-7-12(8-6-11)19-15(14(10-20)17-18-19)13-4-2-3-9-16-13/h2-9,20H,10H2,1H3.
What are the key properties of [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol has a molecular weight of 266.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 56686681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).