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

C9H8ClN3O — CID 69456348

IUPAC[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H8ClN3O/c10-7-2-1-3-8(4-7)13-6-11-9(5-14)12-13/h1-4,6,14H,5H2
InChIKeySSKSUTNKRZBTOP-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.41
Rot. Bonds2

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

[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 69456348) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID69456348
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H8ClN3O/c10-7-2-1-3-8(4-7)13-6-11-9(5-14)12-13/h1-4,6,14H,5H2
InChIKeySSKSUTNKRZBTOP-UHFFFAOYSA-N
XLogP1.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-chlorophenyl)-1,2,4-triazole-3-carboxylate
CID 76849388
2-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817765
2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide
CID 15016285
[1-(3-chlorophenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CID 5146729
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818134
2-[1-(3-chlorophenyl)pyrazol-3-yl]acetonitrile
CID 116818243
3-(2,2-dimethylpropyl)-1-(3-fluorophenyl)-1,2,4-triazole
CID 166495018
[1-(3-chlorophenyl)-5-methylimidazol-2-yl]methanamine
CID 83890397
[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009503
1-(3-chlorophenyl)-3-phenylpyrazole
CID 170994248

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol (CID 69456348) is [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol is OCc1ncn(-c2cccc(Cl)c2)n1.
What is the InChIKey of [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is SSKSUTNKRZBTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-7-2-1-3-8(4-7)13-6-11-9(5-14)12-13/h1-4,6,14H,5H2.
What are the key properties of [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 209.64 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 69456348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).