4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one

C12H21N3O — CID 59730870

IUPAC4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
SMILESC=C1CCC(NC)C(=O)N2C(C)CCCN12
InChIInChI=1S/C12H21N3O/c1-9-6-7-11(13-3)12(16)15-10(2)5-4-8-14(9)15/h10-11,13H,1,4-8H2,2-3H3
InChIKeyIJRXXEZMGWNHPN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.11
Rot. Bonds1

About 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one

4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one (PubChem CID 59730870) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one.

Molecular Properties

Compound Name4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
PubChem CID59730870
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one
SMILESC=C1CCC(NC)C(=O)N2C(C)CCCN12
InChIInChI=1S/C12H21N3O/c1-9-6-7-11(13-3)12(16)15-10(2)5-4-8-14(9)15/h10-11,13H,1,4-8H2,2-3H3
InChIKeyIJRXXEZMGWNHPN-UHFFFAOYSA-N
XLogP1.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one?
The IUPAC name of 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one (CID 59730870) is 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one.
What is the SMILES notation for 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one?
The canonical SMILES for 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one is C=C1CCC(NC)C(=O)N2C(C)CCCN12.
What is the InChIKey of 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one?
The InChIKey is IJRXXEZMGWNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-6-7-11(13-3)12(16)15-10(2)5-4-8-14(9)15/h10-11,13H,1,4-8H2,2-3H3.
What are the key properties of 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one?
4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(methylamino)-10-methylidene-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-6-one is sourced from PubChem (CID 59730870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).