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

C9H11N3OS — CID 82207719

IUPAC[1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCn1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C9H11N3OS/c1-12-9(8(6-13)10-11-12)5-7-3-2-4-14-7/h2-4,13H,5-6H2,1H3
InChIKeyBCFPITZLAXDKCH-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.96
Rot. Bonds3

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

[1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82207719) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82207719
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCn1nnc(CO)c1Cc1cccs1
InChIInChI=1S/C9H11N3OS/c1-12-9(8(6-13)10-11-12)5-7-3-2-4-14-7/h2-4,13H,5-6H2,1H3
InChIKeyBCFPITZLAXDKCH-UHFFFAOYSA-N
XLogP0.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82196504
[1-(4-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82196792
[1-(3-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82197062
[1-[(4-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203514
[1-[(4-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82203538
[1-[(2-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203916
[1-[(2-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82203937
[1-[(3-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82211773
[1-[(3-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82211797
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
[1-(2-Thiophen-2-ylethyl)triazol-4-yl]methanol
CID 63773551
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82207719) is [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is Cn1nnc(CO)c1Cc1cccs1.
What is the InChIKey of [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is BCFPITZLAXDKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-9(8(6-13)10-11-12)5-7-3-2-4-14-7/h2-4,13H,5-6H2,1H3.
What are the key properties of [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 209.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82207719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).