6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one

C6H10N2O — CID 142458893

IUPAC6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
SMILESCC1C=NC(=O)CNC1
InChIInChI=1S/C6H10N2O/c1-5-2-7-4-6(9)8-3-5/h3,5,7H,2,4H2,1H3
InChIKeyYJRUDIAWDFKQDC-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.18
Rot. Bonds

About 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one

6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one (PubChem CID 142458893) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one.

Molecular Properties

Compound Name6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
PubChem CID142458893
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
SMILESCC1C=NC(=O)CNC1
InChIInChI=1S/C6H10N2O/c1-5-2-7-4-6(9)8-3-5/h3,5,7H,2,4H2,1H3
InChIKeyYJRUDIAWDFKQDC-UHFFFAOYSA-N
XLogP-0.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
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8-methyl-3,4,5,6,7,8-hexahydropyrrolo[3,2-e][1,4]diazepine
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(4R)-4-methyl-4,5-dihydropyridazine
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CID 140912425
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine
CID 163238244
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
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(7S)-7-ethyl-1,4-diazabicyclo[4.1.0]heptan-2-one
CID 122463214
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one?
The IUPAC name of 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one (CID 142458893) is 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one.
What is the SMILES notation for 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one?
The canonical SMILES for 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one is CC1C=NC(=O)CNC1.
What is the InChIKey of 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one?
The InChIKey is YJRUDIAWDFKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-2-7-4-6(9)8-3-5/h3,5,7H,2,4H2,1H3.
What are the key properties of 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one?
6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one has a molecular weight of 126.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one is sourced from PubChem (CID 142458893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).