2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile

C14H22N6 — CID 114786284

IUPAC2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nnc(C)c(C)n2)CC1
InChIInChI=1S/C14H22N6/c1-4-5-13(10-15)19-6-8-20(9-7-19)14-16-11(2)12(3)17-18-14/h13H,4-9H2,1-3H3
InChIKeyFJLFAJLJMNSVLX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile

2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile (PubChem CID 114786284) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile
PubChem CID114786284
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nnc(C)c(C)n2)CC1
InChIInChI=1S/C14H22N6/c1-4-5-13(10-15)19-6-8-20(9-7-19)14-16-11(2)12(3)17-18-14/h13H,4-9H2,1-3H3
InChIKeyFJLFAJLJMNSVLX-UHFFFAOYSA-N
XLogP1.30
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile (CID 114786284) is 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2nnc(C)c(C)n2)CC1.
What is the InChIKey of 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is FJLFAJLJMNSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-5-13(10-15)19-6-8-20(9-7-19)14-16-11(2)12(3)17-18-14/h13H,4-9H2,1-3H3.
What are the key properties of 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile?
2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 274.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 114786284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).