11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C11H8IN3 — CID 144891245

IUPAC11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCn1c2ccncc2c2ccc(I)nc21
InChIInChI=1S/C11H8IN3/c1-15-9-4-5-13-6-8(9)7-2-3-10(12)14-11(7)15/h2-6H,1H3
InChIKeyLIRUPLGXRWBNCZ-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.73
Rot. Bonds

About 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 144891245) has the molecular formula C11H8IN3 and a molecular weight of 309.11 g/mol. Its IUPAC name is 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID144891245
Molecular FormulaC11H8IN3
Molecular Weight309.11 g/mol
Exact Mass308.98
IUPAC Name11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCn1c2ccncc2c2ccc(I)nc21
InChIInChI=1S/C11H8IN3/c1-15-9-4-5-13-6-8(9)7-2-3-10(12)14-11(7)15/h2-6H,1H3
InChIKeyLIRUPLGXRWBNCZ-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
CID 123761748
5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol
CID 123242900
N-(4-fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262333
N-(5-fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262514
methanesulfonic acid;8-methyl-11-pyrrolidin-1-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144891377
tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate
CID 123197257
2-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-1H-pyridin-4-one
CID 118262515
6,8-difluoro-7-iodo-5-methylpyrido[4,3-b]indole
CID 155583833
2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol
CID 118262436
5-methylbenzo[c][1,6]naphthyridin-6-one
CID 10727152
N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262698
[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite
CID 144891240

Frequently Asked Questions

What is the IUPAC name of 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 144891245) is 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cn1c2ccncc2c2ccc(I)nc21.
What is the InChIKey of 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is LIRUPLGXRWBNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3/c1-15-9-4-5-13-6-8(9)7-2-3-10(12)14-11(7)15/h2-6H,1H3.
What are the key properties of 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 309.11 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 144891245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).