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

C16H18ClN7 — CID 165415013

IUPAC6-chloro-5-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)ccc2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nn12
InChIInChI=1S/C16H18ClN7/c1-11-12(17)5-8-15-18-13(21-24(11)15)6-7-14-19-16(22(2)20-14)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3/b7-6+
InChIKeyMLRZOSGEVFZKFF-VOTSOKGWSA-N
MW343.82 g/mol
LogP2.59
Rot. Bonds3

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

6-chloro-5-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415013) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-[(E)-2-(1-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-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415013
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC Name6-chloro-5-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)ccc2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nn12
InChIInChI=1S/C16H18ClN7/c1-11-12(17)5-8-15-18-13(21-24(11)15)6-7-14-19-16(22(2)20-14)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3/b7-6+
InChIKeyMLRZOSGEVFZKFF-VOTSOKGWSA-N
XLogP2.59
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-[(E)-2-(1-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-methyl-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 165415013) is 6-chloro-5-methyl-2-[(E)-2-(1-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-methyl-2-[(E)-2-(1-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-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)ccc2nc(/C=C/c3nc(N4CCCC4)n(C)n3)nn12.
What is the InChIKey of 6-chloro-5-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MLRZOSGEVFZKFF-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H18ClN7/c1-11-12(17)5-8-15-18-13(21-24(11)15)6-7-14-19-16(22(2)20-14)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3/b7-6+.
What are the key properties of 6-chloro-5-methyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-5-methyl-2-[(E)-2-(1-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 343.82 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-[(E)-2-(1-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 165415013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).