2-amino-4,6-dihydro-1,3-diazepin-5-one

C5H7N3O — CID 123322336

IUPAC2-amino-4,6-dihydro-1,3-diazepin-5-one
SMILESNC1=NCC(=O)CC=N1
InChIInChI=1S/C5H7N3O/c6-5-7-2-1-4(9)3-8-5/h2H,1,3H2,(H2,6,8)
InChIKeyACBNTFYRGWNSKX-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.66
Rot. Bonds

About 2-amino-4,6-dihydro-1,3-diazepin-5-one

2-amino-4,6-dihydro-1,3-diazepin-5-one (PubChem CID 123322336) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-amino-4,6-dihydro-1,3-diazepin-5-one.

Molecular Properties

Compound Name2-amino-4,6-dihydro-1,3-diazepin-5-one
PubChem CID123322336
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-amino-4,6-dihydro-1,3-diazepin-5-one
SMILESNC1=NCC(=O)CC=N1
InChIInChI=1S/C5H7N3O/c6-5-7-2-1-4(9)3-8-5/h2H,1,3H2,(H2,6,8)
InChIKeyACBNTFYRGWNSKX-UHFFFAOYSA-N
XLogP-0.66
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dihydro-1,3-diazepin-5-one?
The IUPAC name of 2-amino-4,6-dihydro-1,3-diazepin-5-one (CID 123322336) is 2-amino-4,6-dihydro-1,3-diazepin-5-one.
What is the SMILES notation for 2-amino-4,6-dihydro-1,3-diazepin-5-one?
The canonical SMILES for 2-amino-4,6-dihydro-1,3-diazepin-5-one is NC1=NCC(=O)CC=N1.
What is the InChIKey of 2-amino-4,6-dihydro-1,3-diazepin-5-one?
The InChIKey is ACBNTFYRGWNSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5-7-2-1-4(9)3-8-5/h2H,1,3H2,(H2,6,8).
What are the key properties of 2-amino-4,6-dihydro-1,3-diazepin-5-one?
2-amino-4,6-dihydro-1,3-diazepin-5-one has a molecular weight of 125.13 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dihydro-1,3-diazepin-5-one is sourced from PubChem (CID 123322336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).