5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one

C12H22N4O — CID 153281312

IUPAC5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one
SMILESC/C1=N/CCNCCCNCC/N=C(\C)C1=O
InChIInChI=1S/C12H22N4O/c1-10-12(17)11(2)16-9-7-14-5-3-4-13-6-8-15-10/h13-14H,3-9H2,1-2H3/b15-10-,16-11+
InChIKeyYTUQQMSCRAJGJJ-MBKDJOQRSA-N
MW238.33 g/mol
LogP0.06
Rot. Bonds

About 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one

5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one (PubChem CID 153281312) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one
PubChem CID153281312
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one
SMILESC/C1=N/CCNCCCNCC/N=C(\C)C1=O
InChIInChI=1S/C12H22N4O/c1-10-12(17)11(2)16-9-7-14-5-3-4-13-6-8-15-10/h13-14H,3-9H2,1-2H3/b15-10-,16-11+
InChIKeyYTUQQMSCRAJGJJ-MBKDJOQRSA-N
XLogP0.06
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-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

4-[2-(3-Aminopropylamino)ethylimino]pentan-2-one
CID 91233415
3,14-Dimethyl-4,7,10,13-tetraazahexadeca-3,13-diene-2,15-dione
CID 129657434
15-Amino-3-methyl-4,7,10,13-tetraazapentadeca-3-ene-2-one
CID 129675665
4-[2-(Methylamino)ethylimino]pentan-2-one
CID 118002001
4-[2-(4-Oxopentan-2-ylideneamino)ethylamino]pentan-2-one
CID 123987908
4-[3-[3-(4-Oxopentan-2-ylideneamino)propylamino]propylimino]pentan-2-one
CID 139714400
4-[2-[2-(4-Oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one
CID 139771301

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one?
The IUPAC name of 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one (CID 153281312) is 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one.
What is the SMILES notation for 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one?
The canonical SMILES for 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one is C/C1=N/CCNCCCNCC/N=C(\C)C1=O.
What is the InChIKey of 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one?
The InChIKey is YTUQQMSCRAJGJJ-MBKDJOQRSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-12(17)11(2)16-9-7-14-5-3-4-13-6-8-15-10/h13-14H,3-9H2,1-2H3/b15-10-,16-11+.
What are the key properties of 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one?
5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one is sourced from PubChem (CID 153281312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).