5-amino-1,3-diazinan-4-one

C4H9N3O — CID 67494237

IUPAC5-amino-1,3-diazinan-4-one
SMILESNC1CNCNC1=O
InChIInChI=1S/C4H9N3O/c5-3-1-6-2-7-4(3)8/h3,6H,1-2,5H2,(H,7,8)
InChIKeySWYAYSOLQYDJNT-UHFFFAOYSA-N
MW115.14 g/mol
LogP-2.01
Rot. Bonds

About 5-amino-1,3-diazinan-4-one

5-amino-1,3-diazinan-4-one (PubChem CID 67494237) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 5-amino-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-amino-1,3-diazinan-4-one
PubChem CID67494237
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name5-amino-1,3-diazinan-4-one
SMILESNC1CNCNC1=O
InChIInChI=1S/C4H9N3O/c5-3-1-6-2-7-4(3)8/h3,6H,1-2,5H2,(H,7,8)
InChIKeySWYAYSOLQYDJNT-UHFFFAOYSA-N
XLogP-2.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-diazinan-4-one?
The IUPAC name of 5-amino-1,3-diazinan-4-one (CID 67494237) is 5-amino-1,3-diazinan-4-one.
What is the SMILES notation for 5-amino-1,3-diazinan-4-one?
The canonical SMILES for 5-amino-1,3-diazinan-4-one is NC1CNCNC1=O.
What is the InChIKey of 5-amino-1,3-diazinan-4-one?
The InChIKey is SWYAYSOLQYDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c5-3-1-6-2-7-4(3)8/h3,6H,1-2,5H2,(H,7,8).
What are the key properties of 5-amino-1,3-diazinan-4-one?
5-amino-1,3-diazinan-4-one has a molecular weight of 115.14 g/mol, XLogP of -2.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-diazinan-4-one is sourced from PubChem (CID 67494237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).