[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol

C13H14ClN3O2 — CID 82200344

IUPAC[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(Cl)c2)c1C1CCCO1
InChIInChI=1S/C13H14ClN3O2/c14-9-3-1-4-10(7-9)17-13(11(8-18)15-16-17)12-5-2-6-19-12/h1,3-4,7,12,18H,2,5-6,8H2
InChIKeyAZPGSCYMXRDEBQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.26
Rot. Bonds3

About [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol

[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol (PubChem CID 82200344) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
PubChem CID82200344
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(Cl)c2)c1C1CCCO1
InChIInChI=1S/C13H14ClN3O2/c14-9-3-1-4-10(7-9)17-13(11(8-18)15-16-17)12-5-2-6-19-12/h1,3-4,7,12,18H,2,5-6,8H2
InChIKeyAZPGSCYMXRDEBQ-UHFFFAOYSA-N
XLogP2.26
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
methyl 3-[4-(hydroxymethyl)-5-(oxolan-2-yl)triazol-1-yl]benzoate
CID 82200566
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220800
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82196348
[1-[(4-fluorophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203508
[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203204
1-[(3-chlorophenyl)methyl]-5-(oxolan-2-yl)triazole-4-carbaldehyde
CID 82203640
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
1-(3-chloro-4-fluorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82195385

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol (CID 82200344) is [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol is OCc1nnn(-c2cccc(Cl)c2)c1C1CCCO1.
What is the InChIKey of [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The InChIKey is AZPGSCYMXRDEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-9-3-1-4-10(7-9)17-13(11(8-18)15-16-17)12-5-2-6-19-12/h1,3-4,7,12,18H,2,5-6,8H2.
What are the key properties of [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol has a molecular weight of 279.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82200344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).