7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C10H8ClN5 — CID 11458952

IUPAC7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCc1nnc2c(Cl)nc3cccnc3n12
InChIInChI=1S/C10H8ClN5/c1-2-7-14-15-10-8(11)13-6-4-3-5-12-9(6)16(7)10/h3-5H,2H2,1H3
InChIKeyVVYAXPFXNAXGTD-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.89
Rot. Bonds1

About 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 11458952) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID11458952
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCCc1nnc2c(Cl)nc3cccnc3n12
InChIInChI=1S/C10H8ClN5/c1-2-7-14-15-10-8(11)13-6-4-3-5-12-9(6)16(7)10/h3-5H,2H2,1H3
InChIKeyVVYAXPFXNAXGTD-UHFFFAOYSA-N
XLogP1.89
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene with MolForge

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Related Compounds

2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
CID 117165849
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
CID 164662772
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
7-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385768
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 11458952) is 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is CCc1nnc2c(Cl)nc3cccnc3n12.
What is the InChIKey of 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is VVYAXPFXNAXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c1-2-7-14-15-10-8(11)13-6-4-3-5-12-9(6)16(7)10/h3-5H,2H2,1H3.
What are the key properties of 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 233.66 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 11458952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).