6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine

C14H21N5O2 — CID 80836642

IUPAC6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
SMILESCC1CN2CCCCC2CN1c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N5O2/c1-10-8-17-7-3-2-4-11(17)9-18(10)14-12(19(20)21)5-6-13(15)16-14/h5-6,10-11H,2-4,7-9H2,1H3,(H2,15,16)
InChIKeyLTQIAOPRLJJCAU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.63
Rot. Bonds2

About 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine

6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine (PubChem CID 80836642) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
PubChem CID80836642
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
SMILESCC1CN2CCCCC2CN1c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N5O2/c1-10-8-17-7-3-2-4-11(17)9-18(10)14-12(19(20)21)5-6-13(15)16-14/h5-6,10-11H,2-4,7-9H2,1H3,(H2,15,16)
InChIKeyLTQIAOPRLJJCAU-UHFFFAOYSA-N
XLogP1.63
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine (CID 80836642) is 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine is CC1CN2CCCCC2CN1c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine?
The InChIKey is LTQIAOPRLJJCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-8-17-7-3-2-4-11(17)9-18(10)14-12(19(20)21)5-6-13(15)16-14/h5-6,10-11H,2-4,7-9H2,1H3,(H2,15,16).
What are the key properties of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine?
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine has a molecular weight of 291.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80836642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).