(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone

C14H22N6O — CID 81199262

IUPAC(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
SMILESCN1CCCC2CN(C(=O)c3ccc(NN)nn3)CCC21
InChIInChI=1S/C14H22N6O/c1-19-7-2-3-10-9-20(8-6-12(10)19)14(21)11-4-5-13(16-15)18-17-11/h4-5,10,12H,2-3,6-9,15H2,1H3,(H,16,18)
InChIKeyQGMJUBXAUIXKTA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.32
Rot. Bonds2

About (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone

(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone (PubChem CID 81199262) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
PubChem CID81199262
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
SMILESCN1CCCC2CN(C(=O)c3ccc(NN)nn3)CCC21
InChIInChI=1S/C14H22N6O/c1-19-7-2-3-10-9-20(8-6-12(10)19)14(21)11-4-5-13(16-15)18-17-11/h4-5,10,12H,2-3,6-9,15H2,1H3,(H,16,18)
InChIKeyQGMJUBXAUIXKTA-UHFFFAOYSA-N
XLogP0.32
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 81199724
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103386618
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-hydrazinylpyridazin-3-yl)methanone
CID 104960538
(2-ethylmorpholin-4-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 62243410
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244
phenyl (4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
CID 101244890
(3-amino-4-fluorophenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199116
(4-bromo-2-sulfanylphenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 107033003

Frequently Asked Questions

What is the IUPAC name of (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone (CID 81199262) is (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone is CN1CCCC2CN(C(=O)c3ccc(NN)nn3)CCC21.
What is the InChIKey of (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
The InChIKey is QGMJUBXAUIXKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-19-7-2-3-10-9-20(8-6-12(10)19)14(21)11-4-5-13(16-15)18-17-11/h4-5,10,12H,2-3,6-9,15H2,1H3,(H,16,18).
What are the key properties of (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 81199262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).