2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene

C12H8N4 — CID 58162469

IUPAC2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene
SMILESc1ccc2c(c1)c1nccn1c1ccnn21
InChIInChI=1S/C12H8N4/c1-2-4-10-9(3-1)12-13-7-8-15(12)11-5-6-14-16(10)11/h1-8H
InChIKeyKICLAMHDZRNEDL-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.14
Rot. Bonds

About 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene

2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene (PubChem CID 58162469) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene.

Molecular Properties

Compound Name2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene
PubChem CID58162469
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene
SMILESc1ccc2c(c1)c1nccn1c1ccnn21
InChIInChI=1S/C12H8N4/c1-2-4-10-9(3-1)12-13-7-8-15(12)11-5-6-14-16(10)11/h1-8H
InChIKeyKICLAMHDZRNEDL-UHFFFAOYSA-N
XLogP2.14
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58943949
CID 58943949
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4,5-diphenylimidazo[1,2-a]quinoline
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6-(2-methylpropyl)imidazo[1,2-c]quinazolin-5-one
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9-phenylimidazo[1,2-f]phenanthridine
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2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene
CID 58162477
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
12-methylimidazo[1,2-f]phenanthridine
CID 67953611
imidazo[1,2-c]quinazolin-5-amine;hydrobromide
CID 66594113
12,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-1(25),2,4,6,8,10,13,15,17,19,21,23-dodecaene
CID 155769701
10-[(9-ethylcarbazol-3-yl)methyl]imidazo[1,2-f]phenanthridine
CID 59358485
5,8-dimethylimidazo[1,2-f]phenanthridine
CID 58162818

Frequently Asked Questions

What is the IUPAC name of 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene?
The IUPAC name of 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene (CID 58162469) is 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene.
What is the SMILES notation for 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene?
The canonical SMILES for 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene is c1ccc2c(c1)c1nccn1c1ccnn21.
What is the InChIKey of 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene?
The InChIKey is KICLAMHDZRNEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c1-2-4-10-9(3-1)12-13-7-8-15(12)11-5-6-14-16(10)11/h1-8H.
What are the key properties of 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene?
2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene has a molecular weight of 208.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene is sourced from PubChem (CID 58162469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).