4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene

C8H6N2 — CID 174746798

IUPAC4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene
SMILESc1c2cc3[nH]ncc3c1C2
InChIInChI=1S/C8H6N2/c1-5-2-6(1)7-4-9-10-8(7)3-5/h1,3-4H,2H2,(H,9,10)
InChIKeyKUYXAMMKWMQQSJ-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.47
Rot. Bonds

About 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene

4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene (PubChem CID 174746798) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene.

Molecular Properties

Compound Name4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene
PubChem CID174746798
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene
SMILESc1c2cc3[nH]ncc3c1C2
InChIInChI=1S/C8H6N2/c1-5-2-6(1)7-4-9-10-8(7)3-5/h1,3-4H,2H2,(H,9,10)
InChIKeyKUYXAMMKWMQQSJ-UHFFFAOYSA-N
XLogP1.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 69175478
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255
CID 163233329
CID 163233329
4-fluoro-1H-indazol-6-ol
CID 135742426
4-fluoro-6-methyl-1H-indazole
CID 24728805
4-fluoro-1H-indazol-6-amine
CID 24728151
4-bromospiro[6,7-dihydro-1H-cyclopenta[f]indazole-5,1'-cyclopropane]
CID 171568249
1H-pyrazolo[4,5-c]pyridazine
CID 54448404
6-methyl-4,5-di(propan-2-yl)-1H-indazole
CID 171650760
5,6-dichloro-1H-indazol-4-ol
CID 163323751
4-bromo-5,6-dichloro-1H-indazole
CID 139345853
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325

Frequently Asked Questions

What is the IUPAC name of 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene?
The IUPAC name of 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene (CID 174746798) is 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene.
What is the SMILES notation for 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene?
The canonical SMILES for 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene is c1c2cc3[nH]ncc3c1C2.
What is the InChIKey of 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene?
The InChIKey is KUYXAMMKWMQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-5-2-6(1)7-4-9-10-8(7)3-5/h1,3-4H,2H2,(H,9,10).
What are the key properties of 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene?
4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene has a molecular weight of 130.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene is sourced from PubChem (CID 174746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).