6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile

C12H11N3O — CID 22953004

IUPAC6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCc1nc2c(=O)c(C#N)c[nH]c2c(C)c1C
InChIInChI=1S/C12H11N3O/c1-6-7(2)10-11(15-8(6)3)12(16)9(4-13)5-14-10/h5H,1-3H3,(H,14,16)
InChIKeyPJNJLKHUJDEQOA-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.72
Rot. Bonds

About 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile

6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 22953004) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID22953004
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCc1nc2c(=O)c(C#N)c[nH]c2c(C)c1C
InChIInChI=1S/C12H11N3O/c1-6-7(2)10-11(15-8(6)3)12(16)9(4-13)5-14-10/h5H,1-3H3,(H,14,16)
InChIKeyPJNJLKHUJDEQOA-UHFFFAOYSA-N
XLogP1.72
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 22953004) is 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile is Cc1nc2c(=O)c(C#N)c[nH]c2c(C)c1C.
What is the InChIKey of 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is PJNJLKHUJDEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-6-7(2)10-11(15-8(6)3)12(16)9(4-13)5-14-10/h5H,1-3H3,(H,14,16).
What are the key properties of 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 22953004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).