1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one

C9H14N4O — CID 115371101

IUPAC1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCn1ccnc1
InChIInChI=1S/C9H14N4O/c14-9-11-2-1-4-13(9)7-6-12-5-3-10-8-12/h3,5,8H,1-2,4,6-7H2,(H,11,14)
InChIKeyVZSPHHYYTLCDSN-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.30
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one

1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one (PubChem CID 115371101) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one
PubChem CID115371101
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCn1ccnc1
InChIInChI=1S/C9H14N4O/c14-9-11-2-1-4-13(9)7-6-12-5-3-10-8-12/h3,5,8H,1-2,4,6-7H2,(H,11,14)
InChIKeyVZSPHHYYTLCDSN-UHFFFAOYSA-N
XLogP0.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
CID 115371185
(3R)-3-ethyl-4-(4-imidazol-1-ylbutanoyl)-1,4-diazepan-2-one
CID 136586989
1-ethyl-1,3-diazinan-2-one
CID 21479220
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
CID 106172173
1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one
CID 114500368
1-butyl-1,3-diazepan-2-one
CID 150099536
1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 55169547
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
1-(2-imidazol-1-ylethyl)-2-methylpiperazine
CID 62672995
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
CID 140927699

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one (CID 115371101) is 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one is O=C1NCCCN1CCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one?
The InChIKey is VZSPHHYYTLCDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-11-2-1-4-13(9)7-6-12-5-3-10-8-12/h3,5,8H,1-2,4,6-7H2,(H,11,14).
What are the key properties of 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one?
1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).