6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine

C13H12ClN5O — CID 39817556

IUPAC6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCCc1ncc(-c2nnc3ccc(Cl)cn23)cn1
InChIInChI=1S/C13H12ClN5O/c1-20-5-4-11-15-6-9(7-16-11)13-18-17-12-3-2-10(14)8-19(12)13/h2-3,6-8H,4-5H2,1H3
InChIKeyPXDAARBZWLGLOY-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.03
Rot. Bonds4

About 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine

6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 39817556) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID39817556
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCCc1ncc(-c2nnc3ccc(Cl)cn23)cn1
InChIInChI=1S/C13H12ClN5O/c1-20-5-4-11-15-6-9(7-16-11)13-18-17-12-3-2-10(14)8-19(12)13/h2-3,6-8H,4-5H2,1H3
InChIKeyPXDAARBZWLGLOY-UHFFFAOYSA-N
XLogP2.03
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39771078
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
3-chloro-6-methylpyrrolo[1,2-a]pyrimidine;ethane
CID 145222637
6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39834512
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
CID 79438112
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262
3-(4-chlorophenyl)-5-(2-methoxyethylsulfanyl)-1,2,4-triazol-4-amine
CID 27907937

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 39817556) is 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine is COCCc1ncc(-c2nnc3ccc(Cl)cn23)cn1.
What is the InChIKey of 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PXDAARBZWLGLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-20-5-4-11-15-6-9(7-16-11)13-18-17-12-3-2-10(14)8-19(12)13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 289.73 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 39817556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).