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

C15H15N3OS — CID 82203210

IUPAC[1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2-c2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-4-6-12(7-5-11)9-18-15(13(10-19)16-17-18)14-3-2-8-20-14/h2-8,19H,9-10H2,1H3
InChIKeySVJGNEJRHHWXBN-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.86
Rot. Bonds4

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

[1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 82203210) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID82203210
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2-c2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-4-6-12(7-5-11)9-18-15(13(10-19)16-17-18)14-3-2-8-20-14/h2-8,19H,9-10H2,1H3
InChIKeySVJGNEJRHHWXBN-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol (CID 82203210) is [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol is Cc1ccc(Cn2nnc(CO)c2-c2cccs2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is SVJGNEJRHHWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-4-6-12(7-5-11)9-18-15(13(10-19)16-17-18)14-3-2-8-20-14/h2-8,19H,9-10H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
[1-[(4-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 2.86, 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-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82203210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).