4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile

C17H17N7 — CID 129007499

IUPAC4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile
SMILESCc1nc2cncc(N3CCN(c4ccc(C#N)cc4)CC3)n2n1
InChIInChI=1S/C17H17N7/c1-13-20-16-11-19-12-17(24(16)21-13)23-8-6-22(7-9-23)15-4-2-14(10-18)3-5-15/h2-5,11-12H,6-9H2,1H3
InChIKeyWGTMLAJKCPCIEN-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.63
Rot. Bonds2

About 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile

4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile (PubChem CID 129007499) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile
PubChem CID129007499
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile
SMILESCc1nc2cncc(N3CCN(c4ccc(C#N)cc4)CC3)n2n1
InChIInChI=1S/C17H17N7/c1-13-20-16-11-19-12-17(24(16)21-13)23-8-6-22(7-9-23)15-4-2-14(10-18)3-5-15/h2-5,11-12H,6-9H2,1H3
InChIKeyWGTMLAJKCPCIEN-UHFFFAOYSA-N
XLogP1.63
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile (CID 129007499) is 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile is Cc1nc2cncc(N3CCN(c4ccc(C#N)cc4)CC3)n2n1.
What is the InChIKey of 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile?
The InChIKey is WGTMLAJKCPCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-13-20-16-11-19-12-17(24(16)21-13)23-8-6-22(7-9-23)15-4-2-14(10-18)3-5-15/h2-5,11-12H,6-9H2,1H3.
What are the key properties of 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile?
4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile has a molecular weight of 319.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 129007499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).