7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene

C11H10N2 — CID 91537534

IUPAC7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene
SMILESC1=CCN2C=C3C=NC=C(C3)C2=C1
InChIInChI=1S/C11H10N2/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1/h1-3,6-8H,4-5H2
InChIKeyTXWWHTXRXZEJLW-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.00
Rot. Bonds

About 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene

7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene (PubChem CID 91537534) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene.

Molecular Properties

Compound Name7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene
PubChem CID91537534
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene
SMILESC1=CCN2C=C3C=NC=C(C3)C2=C1
InChIInChI=1S/C11H10N2/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1/h1-3,6-8H,4-5H2
InChIKeyTXWWHTXRXZEJLW-UHFFFAOYSA-N
XLogP2.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118184971
7H-pyrazino[1,2-b]isoquinoline
CID 91176376
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CID 129721092
1-Methylpyrrolo[3,4-h]quinoline
CID 129781803
6-Cyanoisoindolopyridine
CID 129786154
Pyrrolo[3,4-a]indolizine
CID 129876693
Pyrrolo-[3',4':3,4]pyrrolo[2,1-a]isoquinoline
CID 129876726
6,7-Dihydroindolo[2,3-a]quinolizine
CID 85538892
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5,7,9,11-pentaene
CID 18921534
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
CID 57207223
1,4-Diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
CID 69345662
1,5-Diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2,4,6,8,11,13(17),15-heptaene
CID 88178953

Frequently Asked Questions

What is the IUPAC name of 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene?
The IUPAC name of 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene (CID 91537534) is 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene.
What is the SMILES notation for 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene?
The canonical SMILES for 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene is C1=CCN2C=C3C=NC=C(C3)C2=C1.
What is the InChIKey of 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene?
The InChIKey is TXWWHTXRXZEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1/h1-3,6-8H,4-5H2.
What are the key properties of 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene?
7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene has a molecular weight of 170.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-diazatricyclo[7.3.1.02,7]trideca-1(12),2,4,8,10-pentaene is sourced from PubChem (CID 91537534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).