3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene

C13H19N5 — CID 13338393

IUPAC3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
SMILESCc1nn(C)c2c1N=C(C(C)C)N1CC(C)N=C21
InChIInChI=1S/C13H19N5/c1-7(2)12-15-10-9(4)16-17(5)11(10)13-14-8(3)6-18(12)13/h7-8H,6H2,1-5H3
InChIKeyKTKPPWMAKGGVHD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.88
Rot. Bonds1

About 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene

3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene (PubChem CID 13338393) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene.

Molecular Properties

Compound Name3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
PubChem CID13338393
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
SMILESCc1nn(C)c2c1N=C(C(C)C)N1CC(C)N=C21
InChIInChI=1S/C13H19N5/c1-7(2)12-15-10-9(4)16-17(5)11(10)13-14-8(3)6-18(12)13/h7-8H,6H2,1-5H3
InChIKeyKTKPPWMAKGGVHD-UHFFFAOYSA-N
XLogP1.88
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene with MolForge

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Related Compounds

CI 943
CID 146009
7,8-dihydro-1,3-dimethyl-1H-imdazo[1,2-c]pyrazolo[3,4-e]pyrimidine
CID 13338378
7,8-dihydro-1,3,8-trimethyl-1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine
CID 13338379
7,8-Dihydro-1,3,5,8-tetramethyl-1H-imidazo[1,2-c]pyrazolo[3,4-]pyrimidine
CID 13338380
3,5,8,10,11-Pentamethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
CID 13338382
5-Ethyl-7,8-dihydro-1,3-dimethyl-1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine
CID 13338388
8-Ethyl-3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
CID 13338389
8-Ethyl-3,5,10-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
CID 13338391
5-Cyclopropyl-7,8-dihydro-1,3,8-trimethyl-1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine
CID 13338392
1-Ethyl-7,8-dihydro-3,5-dimethyl-1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine
CID 13338394
7,8-Dihydro-1-ethyl-3,5,8-trimethyl-1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine
CID 13338395
3,8-Diethyl-5,11-dimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
CID 13338396

Frequently Asked Questions

What is the IUPAC name of 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene?
The IUPAC name of 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene (CID 13338393) is 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene.
What is the SMILES notation for 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene?
The canonical SMILES for 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene is Cc1nn(C)c2c1N=C(C(C)C)N1CC(C)N=C21.
What is the InChIKey of 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene?
The InChIKey is KTKPPWMAKGGVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-7(2)12-15-10-9(4)16-17(5)11(10)13-14-8(3)6-18(12)13/h7-8H,6H2,1-5H3.
What are the key properties of 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene?
3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene has a molecular weight of 245.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,11-trimethyl-8-propan-2-yl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene is sourced from PubChem (CID 13338393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).