5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile

C17H22ClN7O — CID 166452581

IUPAC5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nnc(N2CCCC(N3CCN(C4CCCC4)C3=O)C2)nc1Cl
InChIInChI=1S/C17H22ClN7O/c18-15-14(10-19)21-22-16(20-15)23-7-3-6-13(11-23)25-9-8-24(17(25)26)12-4-1-2-5-12/h12-13H,1-9,11H2
InChIKeyQADZACFMGXNAMZ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.05
Rot. Bonds3

About 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile

5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile (PubChem CID 166452581) has the molecular formula C17H22ClN7O and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile
PubChem CID166452581
Molecular FormulaC17H22ClN7O
Molecular Weight375.86 g/mol
Exact Mass375.16
IUPAC Name5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nnc(N2CCCC(N3CCN(C4CCCC4)C3=O)C2)nc1Cl
InChIInChI=1S/C17H22ClN7O/c18-15-14(10-19)21-22-16(20-15)23-7-3-6-13(11-23)25-9-8-24(17(25)26)12-4-1-2-5-12/h12-13H,1-9,11H2
InChIKeyQADZACFMGXNAMZ-UHFFFAOYSA-N
XLogP2.05
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile (CID 166452581) is 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile is N#Cc1nnc(N2CCCC(N3CCN(C4CCCC4)C3=O)C2)nc1Cl.
What is the InChIKey of 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile?
The InChIKey is QADZACFMGXNAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN7O/c18-15-14(10-19)21-22-16(20-15)23-7-3-6-13(11-23)25-9-8-24(17(25)26)12-4-1-2-5-12/h12-13H,1-9,11H2.
What are the key properties of 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile?
5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile has a molecular weight of 375.86 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(3-cyclopentyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 166452581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).