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

C10H13N5 — CID 13338379

IUPAC3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
SMILESCc1nn(C)c2c1N=CN1CC(C)N=C21
InChIInChI=1S/C10H13N5/c1-6-4-15-5-11-8-7(2)13-14(3)9(8)10(15)12-6/h5-6H,4H2,1-3H3
InChIKeyKQZHDUGJLSEGCD-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.85
Rot. Bonds

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

3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene (PubChem CID 13338379) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3,5,11-trimethyl-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-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
PubChem CID13338379
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene
SMILESCc1nn(C)c2c1N=CN1CC(C)N=C21
InChIInChI=1S/C10H13N5/c1-6-4-15-5-11-8-7(2)13-14(3)9(8)10(15)12-6/h5-6H,4H2,1-3H3
InChIKeyKQZHDUGJLSEGCD-UHFFFAOYSA-N
XLogP0.85
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5,11-trimethyl-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-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene (CID 13338379) is 3,5,11-trimethyl-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-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-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene is Cc1nn(C)c2c1N=CN1CC(C)N=C21.
What is the InChIKey of 3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene?
The InChIKey is KQZHDUGJLSEGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6-4-15-5-11-8-7(2)13-14(3)9(8)10(15)12-6/h5-6H,4H2,1-3H3.
What are the key properties of 3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene?
3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene has a molecular weight of 203.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7-tetraene is sourced from PubChem (CID 13338379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).