1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile

C9H11N3O — CID 14922002

IUPAC1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(C)n(N)c(=O)c1C#N
InChIInChI=1S/C9H11N3O/c1-5-6(2)8(4-10)9(13)12(11)7(5)3/h11H2,1-3H3
InChIKeyUFHDNILRHVORGJ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.36
Rot. Bonds

About 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile

1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 14922002) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile
PubChem CID14922002
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(C)n(N)c(=O)c1C#N
InChIInChI=1S/C9H11N3O/c1-5-6(2)8(4-10)9(13)12(11)7(5)3/h11H2,1-3H3
InChIKeyUFHDNILRHVORGJ-UHFFFAOYSA-N
XLogP0.36
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile (CID 14922002) is 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(C)n(N)c(=O)c1C#N.
What is the InChIKey of 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UFHDNILRHVORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-6(2)8(4-10)9(13)12(11)7(5)3/h11H2,1-3H3.
What are the key properties of 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,5,6-trimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 14922002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).