3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine

C14H22N4 — CID 104540566

IUPAC3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
SMILESCC1CN2CCCCC2CN1c1cccnc1N
InChIInChI=1S/C14H22N4/c1-11-9-17-8-3-2-5-12(17)10-18(11)13-6-4-7-16-14(13)15/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H2,15,16)
InChIKeyONLISPNQZVGVGH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.73
Rot. Bonds1

About 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine

3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine (PubChem CID 104540566) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
PubChem CID104540566
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
SMILESCC1CN2CCCCC2CN1c1cccnc1N
InChIInChI=1S/C14H22N4/c1-11-9-17-8-3-2-5-12(17)10-18(11)13-6-4-7-16-14(13)15/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H2,15,16)
InChIKeyONLISPNQZVGVGH-UHFFFAOYSA-N
XLogP1.73
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine (CID 104540566) is 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine is CC1CN2CCCCC2CN1c1cccnc1N.
What is the InChIKey of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The InChIKey is ONLISPNQZVGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-9-17-8-3-2-5-12(17)10-18(11)13-6-4-7-16-14(13)15/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H2,15,16).
What are the key properties of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine?
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 104540566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).