4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene

C17H10N4 — CID 140949868

IUPAC4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
SMILESc1ccc2c(c1)ncc1c3cccnc3n3cncc3c21
InChIInChI=1S/C17H10N4/c1-2-6-14-12(4-1)16-13(8-20-14)11-5-3-7-19-17(11)21-10-18-9-15(16)21/h1-10H
InChIKeyATVCRUHZYUEPFB-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.58
Rot. Bonds

About 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene

4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene (PubChem CID 140949868) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
PubChem CID140949868
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
SMILESc1ccc2c(c1)ncc1c3cccnc3n3cncc3c21
InChIInChI=1S/C17H10N4/c1-2-6-14-12(4-1)16-13(8-20-14)11-5-3-7-19-17(11)21-10-18-9-15(16)21/h1-10H
InChIKeyATVCRUHZYUEPFB-UHFFFAOYSA-N
XLogP3.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene with MolForge

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Related Compounds

4,6,8,16,19-pentazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),2,4,7(12),8,10,13,15,17,19-decaene
CID 140949151
17,19,21-triazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,17,20(25),21,23-dodecaene
CID 140950443
2,4,8,11,17-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140948494
6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 129303441
8-(2-methylpropyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110167992
hydron;imidazo[1,2-c]quinazoline
CID 174874267
imidazo[1,5-a]quinoxaline;hydrochloride
CID 139878722
9-methylpyrido[2,3-b]indole
CID 12596580
7-phenyl-10-(7-phenylindolo[2,3-c]quinolin-10-yl)indolo[2,3-c]quinoline;7-phenyl-10-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[2,3-c]quinoline;7-phenyl-10-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[2,3-c]quinoline
CID 159077338
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197
3-iodoimidazo[4,5-b]pyridine
CID 129018665
16-methyl-3,6,8,16,18-pentazapentacyclo[11.7.0.02,6.07,12.015,19]icosa-1(20),2,4,7(12),8,10,13,15(19),17-nonaene
CID 140951121

Frequently Asked Questions

What is the IUPAC name of 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene?
The IUPAC name of 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene (CID 140949868) is 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene.
What is the SMILES notation for 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene?
The canonical SMILES for 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene is c1ccc2c(c1)ncc1c3cccnc3n3cncc3c21.
What is the InChIKey of 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene?
The InChIKey is ATVCRUHZYUEPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c1-2-6-14-12(4-1)16-13(8-20-14)11-5-3-7-19-17(11)21-10-18-9-15(16)21/h1-10H.
What are the key properties of 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene?
4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene has a molecular weight of 270.30 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene is sourced from PubChem (CID 140949868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).