2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

C16H18N8 — CID 72705650

IUPAC2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESCn1nc(N2CCCC2)nc1CCc1nc2cc(C#N)ccn2n1
InChIInChI=1S/C16H18N8/c1-22-14(19-16(21-22)23-7-2-3-8-23)5-4-13-18-15-10-12(11-17)6-9-24(15)20-13/h6,9-10H,2-5,7-8H2,1H3
InChIKeyKWKUWWAAZDGNDL-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.11
Rot. Bonds4

About 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 72705650) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID72705650
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESCn1nc(N2CCCC2)nc1CCc1nc2cc(C#N)ccn2n1
InChIInChI=1S/C16H18N8/c1-22-14(19-16(21-22)23-7-2-3-8-23)5-4-13-18-15-10-12(11-17)6-9-24(15)20-13/h6,9-10H,2-5,7-8H2,1H3
InChIKeyKWKUWWAAZDGNDL-UHFFFAOYSA-N
XLogP1.11
TPSA87.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (CID 72705650) is 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is Cn1nc(N2CCCC2)nc1CCc1nc2cc(C#N)ccn2n1.
What is the InChIKey of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is KWKUWWAAZDGNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-22-14(19-16(21-22)23-7-2-3-8-23)5-4-13-18-15-10-12(11-17)6-9-24(15)20-13/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 322.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 72705650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).