3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

C9H18N2 — CID 45099409

IUPAC3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1
InChIInChI=1S/C9H18N2/c1-8-7-11-5-3-2-4-9(11)6-10-8/h8-10H,2-7H2,1H3
InChIKeyNFFVWTLRGWWYDK-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds

About 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 45099409) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID45099409
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1
InChIInChI=1S/C9H18N2/c1-8-7-11-5-3-2-4-9(11)6-10-8/h8-10H,2-7H2,1H3
InChIKeyNFFVWTLRGWWYDK-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (CID 45099409) is 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1.
What is the InChIKey of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is NFFVWTLRGWWYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-7-11-5-3-2-4-9(11)6-10-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 45099409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).