11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C14H11N5O — CID 20927911

IUPAC11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1oc2ncn3nc(-c4ccncc4)nc3c2c1C
InChIInChI=1S/C14H11N5O/c1-8-9(2)20-14-11(8)13-17-12(18-19(13)7-16-14)10-3-5-15-6-4-10/h3-7H,1-2H3
InChIKeyLBGDXEPNQHCTBS-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.55
Rot. Bonds1

About 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20927911) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20927911
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1oc2ncn3nc(-c4ccncc4)nc3c2c1C
InChIInChI=1S/C14H11N5O/c1-8-9(2)20-14-11(8)13-17-12(18-19(13)7-16-14)10-3-5-15-6-4-10/h3-7H,1-2H3
InChIKeyLBGDXEPNQHCTBS-UHFFFAOYSA-N
XLogP2.55
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20927911) is 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1oc2ncn3nc(-c4ccncc4)nc3c2c1C.
What is the InChIKey of 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is LBGDXEPNQHCTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-8-9(2)20-14-11(8)13-17-12(18-19(13)7-16-14)10-3-5-15-6-4-10/h3-7H,1-2H3.
What are the key properties of 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 265.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20927911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).