6-methyl-4aH-1,6-naphthyridine-2,5-dione

C9H8N2O2 — CID 68859489

IUPAC6-methyl-4aH-1,6-naphthyridine-2,5-dione
SMILESCN1C=CC2=NC(=O)C=CC2C1=O
InChIInChI=1S/C9H8N2O2/c1-11-5-4-7-6(9(11)13)2-3-8(12)10-7/h2-6H,1H3
InChIKeyTZZUUXDSAZQRRQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.13
Rot. Bonds

About 6-methyl-4aH-1,6-naphthyridine-2,5-dione

6-methyl-4aH-1,6-naphthyridine-2,5-dione (PubChem CID 68859489) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-methyl-4aH-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name6-methyl-4aH-1,6-naphthyridine-2,5-dione
PubChem CID68859489
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name6-methyl-4aH-1,6-naphthyridine-2,5-dione
SMILESCN1C=CC2=NC(=O)C=CC2C1=O
InChIInChI=1S/C9H8N2O2/c1-11-5-4-7-6(9(11)13)2-3-8(12)10-7/h2-6H,1H3
InChIKeyTZZUUXDSAZQRRQ-UHFFFAOYSA-N
XLogP0.13
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4aH-1,6-naphthyridine-2,5-dione?
The IUPAC name of 6-methyl-4aH-1,6-naphthyridine-2,5-dione (CID 68859489) is 6-methyl-4aH-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 6-methyl-4aH-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 6-methyl-4aH-1,6-naphthyridine-2,5-dione is CN1C=CC2=NC(=O)C=CC2C1=O.
What is the InChIKey of 6-methyl-4aH-1,6-naphthyridine-2,5-dione?
The InChIKey is TZZUUXDSAZQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-5-4-7-6(9(11)13)2-3-8(12)10-7/h2-6H,1H3.
What are the key properties of 6-methyl-4aH-1,6-naphthyridine-2,5-dione?
6-methyl-4aH-1,6-naphthyridine-2,5-dione has a molecular weight of 176.17 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4aH-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 68859489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).