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

C15H15N3OS — CID 82204031

IUPAC[1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1ccccc1Cn1nnc(CO)c1-c1cccs1
InChIInChI=1S/C15H15N3OS/c1-11-5-2-3-6-12(11)9-18-15(13(10-19)16-17-18)14-7-4-8-20-14/h2-8,19H,9-10H2,1H3
InChIKeyYYDKJZUGMXNGAQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.86
Rot. Bonds4

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

[1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 82204031) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID82204031
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1ccccc1Cn1nnc(CO)c1-c1cccs1
InChIInChI=1S/C15H15N3OS/c1-11-5-2-3-6-12(11)9-18-15(13(10-19)16-17-18)14-7-4-8-20-14/h2-8,19H,9-10H2,1H3
InChIKeyYYDKJZUGMXNGAQ-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-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol (CID 82204031) is [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol is Cc1ccccc1Cn1nnc(CO)c1-c1cccs1.
What is the InChIKey of [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is YYDKJZUGMXNGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-5-2-3-6-12(11)9-18-15(13(10-19)16-17-18)14-7-4-8-20-14/h2-8,19H,9-10H2,1H3.
What are the key properties of [1-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
[1-[(2-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-[(2-methylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82204031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).