2-amino-1-methyl-1,3-diazinan-4-one

C5H11N3O — CID 138601195

IUPAC2-amino-1-methyl-1,3-diazinan-4-one
SMILESCN1CCC(=O)NC1N
InChIInChI=1S/C5H11N3O/c1-8-3-2-4(9)7-5(8)6/h5H,2-3,6H2,1H3,(H,7,9)
InChIKeyJPSAIDPECPHXBH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.32
Rot. Bonds

About 2-amino-1-methyl-1,3-diazinan-4-one

2-amino-1-methyl-1,3-diazinan-4-one (PubChem CID 138601195) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-1-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-amino-1-methyl-1,3-diazinan-4-one
PubChem CID138601195
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-amino-1-methyl-1,3-diazinan-4-one
SMILESCN1CCC(=O)NC1N
InChIInChI=1S/C5H11N3O/c1-8-3-2-4(9)7-5(8)6/h5H,2-3,6H2,1H3,(H,7,9)
InChIKeyJPSAIDPECPHXBH-UHFFFAOYSA-N
XLogP-1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-1,3-diazinan-4-one?
The IUPAC name of 2-amino-1-methyl-1,3-diazinan-4-one (CID 138601195) is 2-amino-1-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-amino-1-methyl-1,3-diazinan-4-one?
The canonical SMILES for 2-amino-1-methyl-1,3-diazinan-4-one is CN1CCC(=O)NC1N.
What is the InChIKey of 2-amino-1-methyl-1,3-diazinan-4-one?
The InChIKey is JPSAIDPECPHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-8-3-2-4(9)7-5(8)6/h5H,2-3,6H2,1H3,(H,7,9).
What are the key properties of 2-amino-1-methyl-1,3-diazinan-4-one?
2-amino-1-methyl-1,3-diazinan-4-one has a molecular weight of 129.16 g/mol, XLogP of -1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 138601195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).