[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol

C10H13N3OS — CID 106003653

IUPAC[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCc1ccc(Cn2cnnc2CO)s1
InChIInChI=1S/C10H13N3OS/c1-2-8-3-4-9(15-8)5-13-7-11-12-10(13)6-14/h3-4,7,14H,2,5-6H2,1H3
InChIKeySVQYLVWYJMMDHB-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.44
Rot. Bonds4

About [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol

[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 106003653) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID106003653
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCc1ccc(Cn2cnnc2CO)s1
InChIInChI=1S/C10H13N3OS/c1-2-8-3-4-9(15-8)5-13-7-11-12-10(13)6-14/h3-4,7,14H,2,5-6H2,1H3
InChIKeySVQYLVWYJMMDHB-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

Analyze [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

2-[[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106007507
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
CID 106005568
[4-[(2-chlorothiophen-3-yl)methyl]-1,2,4-triazol-3-yl]methanol
CID 130640016
2,5-diethylthiophene
CID 521294
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415282
methyl 2-[5-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 103920444
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
6-chloro-3-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-4-one
CID 114583825
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]tetrazole
CID 106005514
1-[(5-ethylthiophen-2-yl)methyl]pyrrole
CID 63810482
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol (CID 106003653) is [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol is CCc1ccc(Cn2cnnc2CO)s1.
What is the InChIKey of [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is SVQYLVWYJMMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-8-3-4-9(15-8)5-13-7-11-12-10(13)6-14/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-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 [4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 106003653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).