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

C14H12N6O — CID 11380465

IUPACN,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2oc(-c3ccncc3)nc2c2c1ncn2C
InChIInChI=1S/C14H12N6O/c1-15-12-9-11(20(2)7-17-9)10-14(19-12)21-13(18-10)8-3-5-16-6-4-8/h3-7H,1-2H3,(H,15,19)
InChIKeyWLHZGMNUMCDIBS-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.21
Rot. Bonds2

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

N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (PubChem CID 11380465) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.

Molecular Properties

Compound NameN,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
PubChem CID11380465
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2oc(-c3ccncc3)nc2c2c1ncn2C
InChIInChI=1S/C14H12N6O/c1-15-12-9-11(20(2)7-17-9)10-14(19-12)21-13(18-10)8-3-5-16-6-4-8/h3-7H,1-2H3,(H,15,19)
InChIKeyWLHZGMNUMCDIBS-UHFFFAOYSA-N
XLogP2.21
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine 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 N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The IUPAC name of N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (CID 11380465) is N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.
What is the SMILES notation for N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The canonical SMILES for N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is CNc1nc2oc(-c3ccncc3)nc2c2c1ncn2C.
What is the InChIKey of N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The InChIKey is WLHZGMNUMCDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-15-12-9-11(20(2)7-17-9)10-14(19-12)21-13(18-10)8-3-5-16-6-4-8/h3-7H,1-2H3,(H,15,19).
What are the key properties of N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine has a molecular weight of 280.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-dimethyl-4-pyridin-4-yl-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is sourced from PubChem (CID 11380465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).