(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

C12H21N3O — CID 114994976

IUPAC(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESNC1CC1C(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C12H21N3O/c13-11-7-10(11)12(16)15-6-5-14-4-2-1-3-9(14)8-15/h9-11H,1-8,13H2
InChIKeyJDVNFTZJPCEBFT-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.03
Rot. Bonds1

About (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (PubChem CID 114994976) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
PubChem CID114994976
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESNC1CC1C(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C12H21N3O/c13-11-7-10(11)12(16)15-6-5-14-4-2-1-3-9(14)8-15/h9-11H,1-8,13H2
InChIKeyJDVNFTZJPCEBFT-UHFFFAOYSA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (CID 114994976) is (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is NC1CC1C(=O)N1CCN2CCCCC2C1.
What is the InChIKey of (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is JDVNFTZJPCEBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-11-7-10(11)12(16)15-6-5-14-4-2-1-3-9(14)8-15/h9-11H,1-8,13H2.
What are the key properties of (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 114994976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).