2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene

C9H8N2 — CID 57086454

IUPAC2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene
SMILESC1=c2cccc3c2=C(C1)NN3
InChIInChI=1S/C9H8N2/c1-2-6-4-5-8-9(6)7(3-1)10-11-8/h1-4,10-11H,5H2
InChIKeyNCLDAMFRFKEIHC-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.09
Rot. Bonds

About 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene

2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene (PubChem CID 57086454) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene.

Molecular Properties

Compound Name2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene
PubChem CID57086454
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene
SMILESC1=c2cccc3c2=C(C1)NN3
InChIInChI=1S/C9H8N2/c1-2-6-4-5-8-9(6)7(3-1)10-11-8/h1-4,10-11H,5H2
InChIKeyNCLDAMFRFKEIHC-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Methylidenecyclohexa-1,3-dien-1-yl)hydrazine
CID 18331059
2,3,4,5-tetrahydro-1H-benzotriazole
CID 53843815
2,3-Dihydrocyclopenta[e]indazole
CID 59145891
15,16-Diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene
CID 87432836
15,16-Diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,7,9,11,14(17)-hexaen-12-amine
CID 87433202
[(5Z)-4-methylidenehepta-1,5-dien-2-yl]hydrazine
CID 121325608
3-ethenyl-5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrazole
CID 134468708
1,12-Diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
CID 141130716
1,2,3,4,5,8-Hexahydrocyclopenta[f]indazole
CID 141201786
1,2,3,4-Tetrahydrocyclopenta[c]pyrazole
CID 141208213
[(3Z)-5-methylidenehepta-1,3-dien-2-yl]hydrazine
CID 141810770
3-methyl-2,3,6,7-tetrahydro-1H-indazole
CID 144249290

Frequently Asked Questions

What is the IUPAC name of 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene?
The IUPAC name of 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene (CID 57086454) is 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene.
What is the SMILES notation for 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene?
The canonical SMILES for 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene is C1=c2cccc3c2=C(C1)NN3.
What is the InChIKey of 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene?
The InChIKey is NCLDAMFRFKEIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-6-4-5-8-9(6)7(3-1)10-11-8/h1-4,10-11H,5H2.
What are the key properties of 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene?
2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene has a molecular weight of 144.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazatricyclo[5.3.1.04,11]undeca-1(10),4(11),6,8-tetraene is sourced from PubChem (CID 57086454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).