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-6,8-dicarbonitrile

C18H19N9 — CID 72705847

IUPAC5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
SMILESCc1c(C#N)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C18H19N9/c1-12-13(10-19)9-14(11-20)17-21-15(23-27(12)17)5-6-16-22-18(24-25(16)2)26-7-3-4-8-26/h9H,3-8H2,1-2H3
InChIKeyQTJZFSCCZDPEJS-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.29
Rot. Bonds4

About 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-6,8-dicarbonitrile

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-6,8-dicarbonitrile (PubChem CID 72705847) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 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-6,8-dicarbonitrile.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
PubChem CID72705847
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
SMILESCc1c(C#N)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C18H19N9/c1-12-13(10-19)9-14(11-20)17-21-15(23-27(12)17)5-6-16-22-18(24-25(16)2)26-7-3-4-8-26/h9H,3-8H2,1-2H3
InChIKeyQTJZFSCCZDPEJS-UHFFFAOYSA-N
XLogP1.29
TPSA111.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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-6,8-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-6,8-dicarbonitrile?
The IUPAC name of 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-6,8-dicarbonitrile (CID 72705847) is 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-6,8-dicarbonitrile.
What is the SMILES notation for 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-6,8-dicarbonitrile?
The canonical SMILES for 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-6,8-dicarbonitrile is Cc1c(C#N)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 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-6,8-dicarbonitrile?
The InChIKey is QTJZFSCCZDPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c1-12-13(10-19)9-14(11-20)17-21-15(23-27(12)17)5-6-16-22-18(24-25(16)2)26-7-3-4-8-26/h9H,3-8H2,1-2H3.
What are the key properties of 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-6,8-dicarbonitrile?
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-6,8-dicarbonitrile has a molecular weight of 361.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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-6,8-dicarbonitrile is sourced from PubChem (CID 72705847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).