6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C13H12Cl3N5 — CID 165415260

IUPAC6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nn(C)cc3Cl)nn12
InChIInChI=1S/C13H12Cl3N5/c1-7-8(14)5-9(15)13-17-12(19-21(7)13)4-3-11-10(16)6-20(2)18-11/h5-6H,3-4H2,1-2H3
InChIKeyUPUCHSMXZLPOQH-UHFFFAOYSA-N
MW344.63 g/mol
LogP3.52
Rot. Bonds3

About 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415260) has the molecular formula C13H12Cl3N5 and a molecular weight of 344.63 g/mol. Its IUPAC name is 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415260
Molecular FormulaC13H12Cl3N5
Molecular Weight344.63 g/mol
Exact Mass343.02
IUPAC Name6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nn(C)cc3Cl)nn12
InChIInChI=1S/C13H12Cl3N5/c1-7-8(14)5-9(15)13-17-12(19-21(7)13)4-3-11-10(16)6-20(2)18-11/h5-6H,3-4H2,1-2H3
InChIKeyUPUCHSMXZLPOQH-UHFFFAOYSA-N
XLogP3.52
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72194628
6-Chloro-5-methyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72703294
6-Chloro-5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704894
6,8-Dichloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705281
6,8-Dichloro-5-methyl-2-[2-(5-pyrrolidin-1-yl-1H-[1,2,4]triazol-3-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705651
6-Chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705652
6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine
CID 90033975
8-bromo-6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705654
6-Bromo-8-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705655
6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
(E)-6-chloro-5,8-dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)vinyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026501
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165415260) is 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3nn(C)cc3Cl)nn12.
What is the InChIKey of 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UPUCHSMXZLPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N5/c1-7-8(14)5-9(15)13-17-12(19-21(7)13)4-3-11-10(16)6-20(2)18-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 344.63 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-[2-(4-chloro-1-methylpyrazol-3-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).