3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile

C15H26N4 — CID 79934812

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CCN2CCCCC2C1)C1CC1
InChIInChI=1S/C15H26N4/c1-17-15(11-16,13-5-6-13)12-18-8-9-19-7-3-2-4-14(19)10-18/h13-14,17H,2-10,12H2,1H3
InChIKeyPDOLBYFJGVLRQE-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.05
Rot. Bonds4

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 79934812) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID79934812
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CCN2CCCCC2C1)C1CC1
InChIInChI=1S/C15H26N4/c1-17-15(11-16,13-5-6-13)12-18-8-9-19-7-3-2-4-14(19)10-18/h13-14,17H,2-10,12H2,1H3
InChIKeyPDOLBYFJGVLRQE-UHFFFAOYSA-N
XLogP1.05
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(methylamino)propanenitrile
CID 79943938
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284
2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
CID 63914583
2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
CID 63912068
2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
CID 63914585
2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile
CID 63912881
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 79945527
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79924588
2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
CID 63971203
2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile (CID 79934812) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C#N)(CN1CCN2CCCCC2C1)C1CC1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is PDOLBYFJGVLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-17-15(11-16,13-5-6-13)12-18-8-9-19-7-3-2-4-14(19)10-18/h13-14,17H,2-10,12H2,1H3.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 262.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 79934812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).