[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol

C16H16N4O — CID 82203247

IUPAC[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2-c2cccnc2)cc1
InChIInChI=1S/C16H16N4O/c1-12-4-6-13(7-5-12)10-20-16(15(11-21)18-19-20)14-3-2-8-17-9-14/h2-9,21H,10-11H2,1H3
InChIKeyYPMFSKUPSNBGFT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds4

About [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol

[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol (PubChem CID 82203247) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
PubChem CID82203247
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2-c2cccnc2)cc1
InChIInChI=1S/C16H16N4O/c1-12-4-6-13(7-5-12)10-20-16(15(11-21)18-19-20)14-3-2-8-17-9-14/h2-9,21H,10-11H2,1H3
InChIKeyYPMFSKUPSNBGFT-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82203256
[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol
CID 125478317
1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82203545
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82211840

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol (CID 82203247) is [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol is Cc1ccc(Cn2nnc(CO)c2-c2cccnc2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
The InChIKey is YPMFSKUPSNBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-4-6-13(7-5-12)10-20-16(15(11-21)18-19-20)14-3-2-8-17-9-14/h2-9,21H,10-11H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol has a molecular weight of 280.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol is sourced from PubChem (CID 82203247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).