[1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C10H13N3OS — CID 82207304

IUPAC[1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCCn1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C10H13N3OS/c1-2-13-10(9(7-14)11-12-13)6-8-4-3-5-15-8/h3-5,14H,2,6-7H2,1H3
InChIKeyKISHCRHEFNZKIN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.44
Rot. Bonds4

About [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82207304) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82207304
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCCn1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C10H13N3OS/c1-2-13-10(9(7-14)11-12-13)6-8-4-3-5-15-8/h3-5,14H,2,6-7H2,1H3
InChIKeyKISHCRHEFNZKIN-UHFFFAOYSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82207304) is [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is CCn1nnc(CO)c1Cc1cccs1.
What is the InChIKey of [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is KISHCRHEFNZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-13-10(9(7-14)11-12-13)6-8-4-3-5-15-8/h3-5,14H,2,6-7H2,1H3.
What are the key properties of [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 223.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82207304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).