1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

C10H12N2 — CID 91328496

IUPAC1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
SMILESc1cnc2c(c1)N1CCC2CC1
InChIInChI=1S/C10H12N2/c1-2-9-10(11-5-1)8-3-6-12(9)7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyGTWFOBMUTJTKPS-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds

About 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene (PubChem CID 91328496) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
PubChem CID91328496
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
SMILESc1cnc2c(c1)N1CCC2CC1
InChIInChI=1S/C10H12N2/c1-2-9-10(11-5-1)8-3-6-12(9)7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyGTWFOBMUTJTKPS-UHFFFAOYSA-N
XLogP1.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoropiperidin-1-yl)pyridin-2-amine
CID 67335941
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
1-(2-methoxy-3-pyridinyl)piperidin-4-ol
CID 172613587
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
CID 175793556
CID 175793556
3-(4-methylazepan-1-yl)pyridin-2-amine
CID 104540390
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
2-cyclopropylpyridine-3-carbonitrile
CID 57440906
3-(azocan-1-yl)pyridin-2-amine
CID 104539725
5-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 154772978

Frequently Asked Questions

What is the IUPAC name of 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene (CID 91328496) is 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene is c1cnc2c(c1)N1CCC2CC1.
What is the InChIKey of 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
The InChIKey is GTWFOBMUTJTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-9-10(11-5-1)8-3-6-12(9)7-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene has a molecular weight of 160.22 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 91328496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).