1-amino-5-methylpyridin-1-ium-3-carbonitrile

C7H8N3+ — CID 151808297

IUPAC1-amino-5-methylpyridin-1-ium-3-carbonitrile
SMILESCc1cc(C#N)c[n+](N)c1
InChIInChI=1S/C7H8N3/c1-6-2-7(3-8)5-10(9)4-6/h2,4-5H,9H2,1H3/q+1
InChIKeySABMULBIJQOYKY-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.13
Rot. Bonds

About 1-amino-5-methylpyridin-1-ium-3-carbonitrile

1-amino-5-methylpyridin-1-ium-3-carbonitrile (PubChem CID 151808297) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 1-amino-5-methylpyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name1-amino-5-methylpyridin-1-ium-3-carbonitrile
PubChem CID151808297
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name1-amino-5-methylpyridin-1-ium-3-carbonitrile
SMILESCc1cc(C#N)c[n+](N)c1
InChIInChI=1S/C7H8N3/c1-6-2-7(3-8)5-10(9)4-6/h2,4-5H,9H2,1H3/q+1
InChIKeySABMULBIJQOYKY-UHFFFAOYSA-N
XLogP-0.13
TPSA53.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-methylsulfonylbenzonitrile
CID 58503757
3-(1-aminoethenyl)-5-methylbenzonitrile
CID 59686855
4-amino-3-hydroxy-5-methylbenzonitrile
CID 131500195
3-isocyano-5-methylbenzonitrile
CID 58369567
5-chloro-1-methoxy-6-methylpyridin-1-ium-3-carbonitrile
CID 171649310
3,4-dihydroxy-5-methylbenzonitrile
CID 101349951
3-methyl-5-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)benzonitrile
CID 14992030
4-amino-3-methylbenzonitrile
CID 7010316
3-(2-hydroxyethyl)-5-methylbenzonitrile
CID 70065203
3-(5-cyano-2-methylphenoxy)propane-1-sulfonamide
CID 107661811
5-methylfuran-3-carbonitrile
CID 14970212
4,5,9,10-tetramethylpyrene-2,7-dicarbonitrile
CID 102098796

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylpyridin-1-ium-3-carbonitrile?
The IUPAC name of 1-amino-5-methylpyridin-1-ium-3-carbonitrile (CID 151808297) is 1-amino-5-methylpyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 1-amino-5-methylpyridin-1-ium-3-carbonitrile?
The canonical SMILES for 1-amino-5-methylpyridin-1-ium-3-carbonitrile is Cc1cc(C#N)c[n+](N)c1.
What is the InChIKey of 1-amino-5-methylpyridin-1-ium-3-carbonitrile?
The InChIKey is SABMULBIJQOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-6-2-7(3-8)5-10(9)4-6/h2,4-5H,9H2,1H3/q+1.
What are the key properties of 1-amino-5-methylpyridin-1-ium-3-carbonitrile?
1-amino-5-methylpyridin-1-ium-3-carbonitrile has a molecular weight of 134.16 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylpyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 151808297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).