3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one

C8H9ClN4O — CID 145492076

IUPAC3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one
SMILESCN1CCNc2nnc(Cl)cc2C1=O
InChIInChI=1S/C8H9ClN4O/c1-13-3-2-10-7-5(8(13)14)4-6(9)11-12-7/h4H,2-3H2,1H3,(H,10,12)
InChIKeyQCLGSUWWZUQOQT-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.63
Rot. Bonds

About 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one

3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one (PubChem CID 145492076) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one
PubChem CID145492076
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one
SMILESCN1CCNc2nnc(Cl)cc2C1=O
InChIInChI=1S/C8H9ClN4O/c1-13-3-2-10-7-5(8(13)14)4-6(9)11-12-7/h4H,2-3H2,1H3,(H,10,12)
InChIKeyQCLGSUWWZUQOQT-UHFFFAOYSA-N
XLogP0.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one?
The IUPAC name of 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one (CID 145492076) is 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one.
What is the SMILES notation for 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one?
The canonical SMILES for 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one is CN1CCNc2nnc(Cl)cc2C1=O.
What is the InChIKey of 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one?
The InChIKey is QCLGSUWWZUQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-13-3-2-10-7-5(8(13)14)4-6(9)11-12-7/h4H,2-3H2,1H3,(H,10,12).
What are the key properties of 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one?
3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one has a molecular weight of 212.64 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one is sourced from PubChem (CID 145492076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).