6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H20ClN7 — CID 90026501

IUPAC6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Cl)c(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H20ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyOBPRDQDEZXTACT-VOTSOKGWSA-N
MW357.85 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90026501) has the molecular formula C17H20ClN7 and a molecular weight of 357.85 g/mol. Its IUPAC name is 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90026501
Molecular FormulaC17H20ClN7
Molecular Weight357.85 g/mol
Exact Mass357.15
IUPAC Name6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Cl)c(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H20ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyOBPRDQDEZXTACT-VOTSOKGWSA-N
XLogP2.90
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90026501) is 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(Cl)c(C)n2nc(/C=C/c3nc(N4CCCC4)nn3C)nc12.
What is the InChIKey of 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OBPRDQDEZXTACT-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H20ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 357.85 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90026501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).