6-amino-1-methyl-2H-1,4-diazepin-7-one

C6H9N3O — CID 69152906

IUPAC6-amino-1-methyl-2H-1,4-diazepin-7-one
SMILESCN1CC=NC=C(N)C1=O
InChIInChI=1S/C6H9N3O/c1-9-3-2-8-4-5(7)6(9)10/h2,4H,3,7H2,1H3
InChIKeyONKBPMPCQNMBNA-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.67
Rot. Bonds

About 6-amino-1-methyl-2H-1,4-diazepin-7-one

6-amino-1-methyl-2H-1,4-diazepin-7-one (PubChem CID 69152906) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-amino-1-methyl-2H-1,4-diazepin-7-one.

Molecular Properties

Compound Name6-amino-1-methyl-2H-1,4-diazepin-7-one
PubChem CID69152906
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-amino-1-methyl-2H-1,4-diazepin-7-one
SMILESCN1CC=NC=C(N)C1=O
InChIInChI=1S/C6H9N3O/c1-9-3-2-8-4-5(7)6(9)10/h2,4H,3,7H2,1H3
InChIKeyONKBPMPCQNMBNA-UHFFFAOYSA-N
XLogP-0.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-2H-1,4-diazepin-7-one?
The IUPAC name of 6-amino-1-methyl-2H-1,4-diazepin-7-one (CID 69152906) is 6-amino-1-methyl-2H-1,4-diazepin-7-one.
What is the SMILES notation for 6-amino-1-methyl-2H-1,4-diazepin-7-one?
The canonical SMILES for 6-amino-1-methyl-2H-1,4-diazepin-7-one is CN1CC=NC=C(N)C1=O.
What is the InChIKey of 6-amino-1-methyl-2H-1,4-diazepin-7-one?
The InChIKey is ONKBPMPCQNMBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-3-2-8-4-5(7)6(9)10/h2,4H,3,7H2,1H3.
What are the key properties of 6-amino-1-methyl-2H-1,4-diazepin-7-one?
6-amino-1-methyl-2H-1,4-diazepin-7-one has a molecular weight of 139.16 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-2H-1,4-diazepin-7-one is sourced from PubChem (CID 69152906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).