5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene

C11H14N4 — CID 14128511

IUPAC5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
SMILESCn1ncc2c1CCCc1c-2cnn1C
InChIInChI=1S/C11H14N4/c1-14-10-4-3-5-11-9(7-13-15(11)2)8(10)6-12-14/h6-7H,3-5H2,1-2H3
InChIKeyWXQZIGQCUSBDMP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.31
Rot. Bonds

About 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene

5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene (PubChem CID 14128511) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene.

Molecular Properties

Compound Name5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
PubChem CID14128511
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
SMILESCn1ncc2c1CCCc1c-2cnn1C
InChIInChI=1S/C11H14N4/c1-14-10-4-3-5-11-9(7-13-15(11)2)8(10)6-12-14/h6-7H,3-5H2,1-2H3
InChIKeyWXQZIGQCUSBDMP-UHFFFAOYSA-N
XLogP1.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene 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

3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
CID 14128508
1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 86238304
4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole
CID 138655189
2-(1-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[4,5-c]azepin-5-yl)acetic acid
CID 86820448
4-chloro-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
CID 171459606
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
CID 131668643
(5E)-5-(hydroxymethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 13303059
1-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrazole 4-oxide
CID 130251291
(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindazol-4-one
CID 13303061
(1-methyl-6,7-dihydroindazol-4-yl) acetate
CID 165347572
4-(2-aminoethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907843
(5Z)-5-benzylidene-1-methyl-6,7-dihydroindazol-4-one
CID 47213484

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene?
The IUPAC name of 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene (CID 14128511) is 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene.
What is the SMILES notation for 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene?
The canonical SMILES for 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene is Cn1ncc2c1CCCc1c-2cnn1C.
What is the InChIKey of 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene?
The InChIKey is WXQZIGQCUSBDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-14-10-4-3-5-11-9(7-13-15(11)2)8(10)6-12-14/h6-7H,3-5H2,1-2H3.
What are the key properties of 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene?
5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene has a molecular weight of 202.26 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene is sourced from PubChem (CID 14128511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).