1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

C10H11ClN4O — CID 103443585

IUPAC1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1CC(O)c1ncccc1Cl
InChIInChI=1S/C10H11ClN4O/c1-15-9(13-6-14-15)5-8(16)10-7(11)3-2-4-12-10/h2-4,6,8,16H,5H2,1H3
InChIKeyIWUIQWXLWZPSHU-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.14
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 103443585) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID103443585
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1CC(O)c1ncccc1Cl
InChIInChI=1S/C10H11ClN4O/c1-15-9(13-6-14-15)5-8(16)10-7(11)3-2-4-12-10/h2-4,6,8,16H,5H2,1H3
InChIKeyIWUIQWXLWZPSHU-UHFFFAOYSA-N
XLogP1.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105107161
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159465
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209742
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 103443585) is 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is Cn1ncnc1CC(O)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is IWUIQWXLWZPSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-15-9(13-6-14-15)5-8(16)10-7(11)3-2-4-12-10/h2-4,6,8,16H,5H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 238.68 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 103443585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).