5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole

C20H20N4 — CID 158291883

IUPAC5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole
SMILESc1cc2[nH]ncc2c2c1CCC2.c1cc2c3c(ccn2n1)CCC3
InChIInChI=1S/2C10H10N2/c1-2-8-5-7-12-10(4-6-11-12)9(8)3-1;1-2-7-4-5-10-9(6-11-12-10)8(7)3-1/h4-7H,1-3H2;4-6H,1-3H2,(H,11,12)
InChIKeyGLLMFYSEWUWARN-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.87
Rot. Bonds

About 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole

5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole (PubChem CID 158291883) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole.

Molecular Properties

Compound Name5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole
PubChem CID158291883
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole
SMILESc1cc2[nH]ncc2c2c1CCC2.c1cc2c3c(ccn2n1)CCC3
InChIInChI=1S/2C10H10N2/c1-2-8-5-7-12-10(4-6-11-12)9(8)3-1;1-2-7-4-5-10-9(6-11-12-10)8(7)3-1/h4-7H,1-3H2;4-6H,1-3H2,(H,11,12)
InChIKeyGLLMFYSEWUWARN-UHFFFAOYSA-N
XLogP3.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole?
The IUPAC name of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole (CID 158291883) is 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole.
What is the SMILES notation for 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole?
The canonical SMILES for 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole is c1cc2[nH]ncc2c2c1CCC2.c1cc2c3c(ccn2n1)CCC3.
What is the InChIKey of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole?
The InChIKey is GLLMFYSEWUWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2/c1-2-8-5-7-12-10(4-6-11-12)9(8)3-1;1-2-7-4-5-10-9(6-11-12-10)8(7)3-1/h4-7H,1-3H2;4-6H,1-3H2,(H,11,12).
What are the key properties of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole?
5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole has a molecular weight of 316.41 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene;3,6,7,8-tetrahydrocyclopenta[e]indazole is sourced from PubChem (CID 158291883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).