1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene

C11H10N2 — CID 67371451

IUPAC1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene
SMILESC1=CN2CCc3cccc(c32)C=N1
InChIInChI=1S/C11H10N2/c1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13/h1-3,5,7-8H,4,6H2
InChIKeyPXQHFFYZINHPRQ-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.95
Rot. Bonds

About 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene

1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene (PubChem CID 67371451) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene.

Molecular Properties

Compound Name1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene
PubChem CID67371451
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene
SMILESC1=CN2CCc3cccc(c32)C=N1
InChIInChI=1S/C11H10N2/c1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13/h1-3,5,7-8H,4,6H2
InChIKeyPXQHFFYZINHPRQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
CID 53338920
9-thia-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
CID 173255580
3-methyl-4,5-dihydro-2,3-benzodiazepine
CID 53232186
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
6H-pyrazino[2,1-b]quinazoline
CID 86175135
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene
CID 70611238
2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
CID 165066702
4,5-dihydro-2,3-benzodiazepine-3-carbothioic S-acid
CID 87758009
10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
CID 70197702
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,6,11,14(18),15-hexaen-5-one
CID 125493160
(2S)-10,13-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),7,9,11,15,17-hexaene
CID 54152678

Frequently Asked Questions

What is the IUPAC name of 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene?
The IUPAC name of 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene (CID 67371451) is 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene.
What is the SMILES notation for 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene?
The canonical SMILES for 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene is C1=CN2CCc3cccc(c32)C=N1.
What is the InChIKey of 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene?
The InChIKey is PXQHFFYZINHPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13/h1-3,5,7-8H,4,6H2.
What are the key properties of 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene?
1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene has a molecular weight of 170.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaene is sourced from PubChem (CID 67371451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).