[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol

C10H13N3OS — CID 62401466

IUPAC[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol
SMILESCCc1ccc(Cn2cc(CO)nn2)s1
InChIInChI=1S/C10H13N3OS/c1-2-9-3-4-10(15-9)6-13-5-8(7-14)11-12-13/h3-5,14H,2,6-7H2,1H3
InChIKeyKYPGKGXXIVXXAQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.44
Rot. Bonds4

About [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol

[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol (PubChem CID 62401466) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol
PubChem CID62401466
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol
SMILESCCc1ccc(Cn2cc(CO)nn2)s1
InChIInChI=1S/C10H13N3OS/c1-2-9-3-4-10(15-9)6-13-5-8(7-14)11-12-13/h3-5,14H,2,6-7H2,1H3
InChIKeyKYPGKGXXIVXXAQ-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-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol (CID 62401466) is [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol is CCc1ccc(Cn2cc(CO)nn2)s1.
What is the InChIKey of [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol?
The InChIKey is KYPGKGXXIVXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-9-3-4-10(15-9)6-13-5-8(7-14)11-12-13/h3-5,14H,2,6-7H2,1H3.
What are the key properties of [1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol?
[1-[(5-ethylthiophen-2-yl)methyl]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-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62401466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).