3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C11H14N2 — CID 66942014

IUPAC3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESc1cnc2c(c1)CC1CC2CCN1
InChIInChI=1S/C11H14N2/c1-2-8-6-10-7-9(3-5-12-10)11(8)13-4-1/h1-2,4,9-10,12H,3,5-7H2
InChIKeyOCOWBDHXWBIGBU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.47
Rot. Bonds

About 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 66942014) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID66942014
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESc1cnc2c(c1)CC1CC2CCN1
InChIInChI=1S/C11H14N2/c1-2-8-6-10-7-9(3-5-12-10)11(8)13-4-1/h1-2,4,9-10,12H,3,5-7H2
InChIKeyOCOWBDHXWBIGBU-UHFFFAOYSA-N
XLogP1.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,9S)-10-benzyl-3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 58123961
2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline
CID 141172733
(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 11147878
CID 175793556
CID 175793556
(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
CID 66588869
8-ethyl-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 167009222
2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
CID 55275995
(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 89333129
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 91328496
N-(2-adamantyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773161

Frequently Asked Questions

What is the IUPAC name of 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 66942014) is 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is c1cnc2c(c1)CC1CC2CCN1.
What is the InChIKey of 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is OCOWBDHXWBIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-6-10-7-9(3-5-12-10)11(8)13-4-1/h1-2,4,9-10,12H,3,5-7H2.
What are the key properties of 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 174.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 66942014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).