3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C11H15N3O — CID 163925104

IUPAC3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1C1=CC=C(N)CC1
InChIInChI=1S/C11H15N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2,4,7H,3,5-6,12H2,1H3,(H,13,15)
InChIKeyRDTPXNVWWDXEMS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.06
Rot. Bonds1

About 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 163925104) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID163925104
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1C1=CC=C(N)CC1
InChIInChI=1S/C11H15N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2,4,7H,3,5-6,12H2,1H3,(H,13,15)
InChIKeyRDTPXNVWWDXEMS-UHFFFAOYSA-N
XLogP1.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Related Compounds

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3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 163925104) is 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1C1=CC=C(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is RDTPXNVWWDXEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2,4,7H,3,5-6,12H2,1H3,(H,13,15).
What are the key properties of 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 205.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexa-1,3-dien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 163925104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).