(1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol

C14H13N3OS — CID 82203038

IUPAC(1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol
SMILESOCc1nnn(Cc2ccccc2)c1-c1cccs1
InChIInChI=1S/C14H13N3OS/c18-10-12-14(13-7-4-8-19-13)17(16-15-12)9-11-5-2-1-3-6-11/h1-8,18H,9-10H2
InChIKeyWTZOXKPPBCIMFU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.55
Rot. Bonds4

About (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol

(1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol (PubChem CID 82203038) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol
PubChem CID82203038
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol
SMILESOCc1nnn(Cc2ccccc2)c1-c1cccs1
InChIInChI=1S/C14H13N3OS/c18-10-12-14(13-7-4-8-19-13)17(16-15-12)9-11-5-2-1-3-6-11/h1-8,18H,9-10H2
InChIKeyWTZOXKPPBCIMFU-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol?
The IUPAC name of (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol (CID 82203038) is (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol?
The canonical SMILES for (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol is OCc1nnn(Cc2ccccc2)c1-c1cccs1.
What is the InChIKey of (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol?
The InChIKey is WTZOXKPPBCIMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-10-12-14(13-7-4-8-19-13)17(16-15-12)9-11-5-2-1-3-6-11/h1-8,18H,9-10H2.
What are the key properties of (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol?
(1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol has a molecular weight of 271.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-thiophen-2-yltriazol-4-yl)methanol is sourced from PubChem (CID 82203038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).