1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium

C14H24N3+ — CID 167396240

IUPAC1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium
SMILESCC(C)N1CCN(C)c2cc[n+](C(C)C)cc21
InChIInChI=1S/C14H24N3/c1-11(2)16-7-6-13-14(10-16)17(12(3)4)9-8-15(13)5/h6-7,10-12H,8-9H2,1-5H3/q+1
InChIKeyYLLFEGOEXASJAV-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.22
Rot. Bonds2

About 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium

1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium (PubChem CID 167396240) has the molecular formula C14H24N3+ and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium.

Molecular Properties

Compound Name1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium
PubChem CID167396240
Molecular FormulaC14H24N3+
Molecular Weight234.37 g/mol
Exact Mass234.20
IUPAC Name1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium
SMILESCC(C)N1CCN(C)c2cc[n+](C(C)C)cc21
InChIInChI=1S/C14H24N3/c1-11(2)16-7-6-13-14(10-16)17(12(3)4)9-8-15(13)5/h6-7,10-12H,8-9H2,1-5H3/q+1
InChIKeyYLLFEGOEXASJAV-UHFFFAOYSA-N
XLogP2.22
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
CID 166553115
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63776620
1,4-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-4-ium
CID 89458372
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
6-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline
CID 22041393
5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-5-ium
CID 90395186
1-propan-2-ylpyridin-1-ium-3,4-diol
CID 58374051
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 63777654
3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63778981
1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium
CID 129223790
4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol
CID 82980835

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium?
The IUPAC name of 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium (CID 167396240) is 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium.
What is the SMILES notation for 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium?
The canonical SMILES for 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium is CC(C)N1CCN(C)c2cc[n+](C(C)C)cc21.
What is the InChIKey of 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium?
The InChIKey is YLLFEGOEXASJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N3/c1-11(2)16-7-6-13-14(10-16)17(12(3)4)9-8-15(13)5/h6-7,10-12H,8-9H2,1-5H3/q+1.
What are the key properties of 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium?
1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium has a molecular weight of 234.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium is sourced from PubChem (CID 167396240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).