11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C13H13N5O — CID 17190812

IUPAC11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1C1CCCC1
InChIInChI=1S/C13H13N5O/c19-12-10-7-14-13-15-8-16-18(13)11(10)5-6-17(12)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyDNLNDXRMBFDSCD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.55
Rot. Bonds1

About 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 17190812) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID17190812
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1C1CCCC1
InChIInChI=1S/C13H13N5O/c19-12-10-7-14-13-15-8-16-18(13)11(10)5-6-17(12)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyDNLNDXRMBFDSCD-UHFFFAOYSA-N
XLogP1.55
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-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

7-(2-methoxyethyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653982
7-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653983
pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-7(6h)-acetic acid, 6-oxo-, sodium salt
CID 23699499
pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-7(6h)-propanoic acid, 6-oxo-, sodium salt
CID 23699500
pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-7(6h)-butanoic acid, 6-oxo-, sodium salt
CID 23699501
2,7-dimethylpyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653521
7-methyl-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653527
2-(methylsulfanyl)-7-[2-(piperidin-1-yl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653530
7-(2-methoxyethyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653572
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
7-amino-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653149
(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)acetic acid
CID 3073309

Frequently Asked Questions

What is the IUPAC name of 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 17190812) is 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3ncnn3c2ccn1C1CCCC1.
What is the InChIKey of 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is DNLNDXRMBFDSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-12-10-7-14-13-15-8-16-18(13)11(10)5-6-17(12)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 255.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopentyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 17190812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).