3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene

C11H10N4 — CID 15155862

IUPAC3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
SMILESc1cnc2c(c1)-c1ncncc1CCN2
InChIInChI=1S/C11H10N4/c1-2-9-10-8(6-12-7-15-10)3-5-14-11(9)13-4-1/h1-2,4,6-7H,3,5H2,(H,13,14)
InChIKeySAFVICRKLDPVIP-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.51
Rot. Bonds

About 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene

3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene (PubChem CID 15155862) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene.

Molecular Properties

Compound Name3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
PubChem CID15155862
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
SMILESc1cnc2c(c1)-c1ncncc1CCN2
InChIInChI=1S/C11H10N4/c1-2-9-10-8(6-12-7-15-10)3-5-14-11(9)13-4-1/h1-2,4,6-7H,3,5H2,(H,13,14)
InChIKeySAFVICRKLDPVIP-UHFFFAOYSA-N
XLogP1.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene with MolForge

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Related Compounds

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CID 15783775
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CID 118516950
2-(3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-6-ylamino)acetic acid
CID 139643281
6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepine
CID 18948533
(2S)-1-(3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-6-yl)pyrrolidine-2-carboxylic acid
CID 139643292
1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 142419123
4,5-dihydro-3H-imidazo[4,5-c][1,8]naphthyridine
CID 67966762
4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
CID 57459920
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 22707087
5,6-dihydro-1,7-phenanthroline
CID 69016308
8-(2,3-dihydro-1H-indol-6-yl)quinoline
CID 116698503

Frequently Asked Questions

What is the IUPAC name of 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene?
The IUPAC name of 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene (CID 15155862) is 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene.
What is the SMILES notation for 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene?
The canonical SMILES for 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene is c1cnc2c(c1)-c1ncncc1CCN2.
What is the InChIKey of 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene?
The InChIKey is SAFVICRKLDPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-9-10-8(6-12-7-15-10)3-5-14-11(9)13-4-1/h1-2,4,6-7H,3,5H2,(H,13,14).
What are the key properties of 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene?
3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene has a molecular weight of 198.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene is sourced from PubChem (CID 15155862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).