2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene

C7H3N7 — CID 102410296

IUPAC2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene
SMILESc1nnc2cc3nncnc3nc2n1
InChIInChI=1S/C7H3N7/c1-4-6(8-2-10-13-4)12-7-5(1)14-11-3-9-7/h1-3H
InChIKeyRFJUWPLQLAKXSP-UHFFFAOYSA-N
MW185.15 g/mol
LogP-0.24
Rot. Bonds

About 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene

2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene (PubChem CID 102410296) has the molecular formula C7H3N7 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene.

Molecular Properties

Compound Name2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene
PubChem CID102410296
Molecular FormulaC7H3N7
Molecular Weight185.15 g/mol
Exact Mass185.04
IUPAC Name2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene
SMILESc1nnc2cc3nncnc3nc2n1
InChIInChI=1S/C7H3N7/c1-4-6(8-2-10-13-4)12-7-5(1)14-11-3-9-7/h1-3H
InChIKeyRFJUWPLQLAKXSP-UHFFFAOYSA-N
XLogP-0.24
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 155348763
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CID 102403996
ethane;6-methyl-1,2,4-benzotriazine
CID 145271203
1,2,4-benzotriazin-6-amine;ethane
CID 145271265
pteridine-6,7-diamine
CID 119097307
pentadecacyclo[27.25.1.12,28.04,53.06,51.08,49.010,47.012,45.014,43.016,41.018,39.020,37.022,35.024,33.026,31]hexapentaconta-1(55),2(56),3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-octacosaene
CID 135009478
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CID 102250040
2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 101411498
5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine
CID 68867610
5-chloro-6-naphthalen-2-yl-1,2,4-triazine
CID 116822943
1,2,4-benzotriazine;1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one
CID 21388241
azane;5-methoxy-6-methyl-1,2,4-triazine
CID 69015199

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene?
The IUPAC name of 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene (CID 102410296) is 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene.
What is the SMILES notation for 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene?
The canonical SMILES for 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene is c1nnc2cc3nncnc3nc2n1.
What is the InChIKey of 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene?
The InChIKey is RFJUWPLQLAKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N7/c1-4-6(8-2-10-13-4)12-7-5(1)14-11-3-9-7/h1-3H.
What are the key properties of 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene?
2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene has a molecular weight of 185.15 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene is sourced from PubChem (CID 102410296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).