[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine

C14H23N5 — CID 81198315

IUPAC[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
SMILESCN1CCCC2CN(c3nccnc3CN)CCC21
InChIInChI=1S/C14H23N5/c1-18-7-2-3-11-10-19(8-4-13(11)18)14-12(9-15)16-5-6-17-14/h5-6,11,13H,2-4,7-10,15H2,1H3
InChIKeyUXRMOCDZLAZUCQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.86
Rot. Bonds2

About [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine

[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine (PubChem CID 81198315) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
PubChem CID81198315
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
SMILESCN1CCCC2CN(c3nccnc3CN)CCC21
InChIInChI=1S/C14H23N5/c1-18-7-2-3-11-10-19(8-4-13(11)18)14-12(9-15)16-5-6-17-14/h5-6,11,13H,2-4,7-10,15H2,1H3
InChIKeyUXRMOCDZLAZUCQ-UHFFFAOYSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine (CID 81198315) is [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine is CN1CCCC2CN(c3nccnc3CN)CCC21.
What is the InChIKey of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine?
The InChIKey is UXRMOCDZLAZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-7-2-3-11-10-19(8-4-13(11)18)14-12(9-15)16-5-6-17-14/h5-6,11,13H,2-4,7-10,15H2,1H3.
What are the key properties of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine?
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 81198315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).