8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene

C15H12N4 — CID 122523474

IUPAC8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene
SMILESCc1c(C)c2nc3ccccc3n2c2nnccc12
InChIInChI=1S/C15H12N4/c1-9-10(2)14-17-12-5-3-4-6-13(12)19(14)15-11(9)7-8-16-18-15/h3-8H,1-2H3
InChIKeyYVVAPZNGWULMNL-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.05
Rot. Bonds

About 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene

8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene (PubChem CID 122523474) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene.

Molecular Properties

Compound Name8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene
PubChem CID122523474
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene
SMILESCc1c(C)c2nc3ccccc3n2c2nnccc12
InChIInChI=1S/C15H12N4/c1-9-10(2)14-17-12-5-3-4-6-13(12)19(14)15-11(9)7-8-16-18-15/h3-8H,1-2H3
InChIKeyYVVAPZNGWULMNL-UHFFFAOYSA-N
XLogP3.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene 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

CID 157113916
CID 157113916
3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
5-methyl-9,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 70884397
3,10,12,15,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11,13,15,17,19,21,24,26,28-tetradecaene
CID 138474687
1-methylimidazo[1,2-a]quinoxalin-4-amine
CID 10559868
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
5-phosphanylbenzimidazolo[1,2-c]quinazolin-6-one
CID 71176384
3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11,13,15,18,20,22,24,26,28-tetradecaene
CID 139436188
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 45106063

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene?
The IUPAC name of 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene (CID 122523474) is 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene.
What is the SMILES notation for 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene?
The canonical SMILES for 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene is Cc1c(C)c2nc3ccccc3n2c2nnccc12.
What is the InChIKey of 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene?
The InChIKey is YVVAPZNGWULMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-9-10(2)14-17-12-5-3-4-6-13(12)19(14)15-11(9)7-8-16-18-15/h3-8H,1-2H3.
What are the key properties of 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene?
8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene has a molecular weight of 248.29 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene is sourced from PubChem (CID 122523474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).