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

C15H17Cl2N7 — CID 72705651

IUPAC6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)n[nH]3)nn12
InChIInChI=1S/C15H17Cl2N7/c1-9-10(16)8-11(17)14-18-13(22-24(9)14)5-4-12-19-15(21-20-12)23-6-2-3-7-23/h8H,2-7H2,1H3,(H,19,20,21)
InChIKeyJRPOMJNEKGVSDK-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.85
Rot. Bonds4

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

6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72705651) has the molecular formula C15H17Cl2N7 and a molecular weight of 366.26 g/mol. Its IUPAC name is 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72705651
Molecular FormulaC15H17Cl2N7
Molecular Weight366.26 g/mol
Exact Mass365.09
IUPAC Name6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)n[nH]3)nn12
InChIInChI=1S/C15H17Cl2N7/c1-9-10(16)8-11(17)14-18-13(22-24(9)14)5-4-12-19-15(21-20-12)23-6-2-3-7-23/h8H,2-7H2,1H3,(H,19,20,21)
InChIKeyJRPOMJNEKGVSDK-UHFFFAOYSA-N
XLogP2.85
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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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-8-(difluoromethyl)-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 72703515
6-Chloro-2-[2-(2-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72703713
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-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-Chloro-5-methyl-2-(2-(3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90017353
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
6-Chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72703086
6-Chloro-2-(2-(1-cyclopropyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl)ethyl)-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72703516
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

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 72705651) is 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)n[nH]3)nn12.
What is the InChIKey of 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JRPOMJNEKGVSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N7/c1-9-10(16)8-11(17)14-18-13(22-24(9)14)5-4-12-19-15(21-20-12)23-6-2-3-7-23/h8H,2-7H2,1H3,(H,19,20,21).
What are the key properties of 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 366.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-5-methyl-2-[2-(3-pyrrolidin-1-yl-1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72705651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).