4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C16H17FN4 — CID 145083658

IUPAC4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCc1ccc(-c2nc3c(cc2F)N2CCC(C2)N3C)cn1
InChIInChI=1S/C16H17FN4/c1-10-3-4-11(8-18-10)15-13(17)7-14-16(19-15)20(2)12-5-6-21(14)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyOISYWGPVLHPCEY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.62
Rot. Bonds1

About 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 145083658) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID145083658
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCc1ccc(-c2nc3c(cc2F)N2CCC(C2)N3C)cn1
InChIInChI=1S/C16H17FN4/c1-10-3-4-11(8-18-10)15-13(17)7-14-16(19-15)20(2)12-5-6-21(14)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyOISYWGPVLHPCEY-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene with MolForge

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Related Compounds

4-fluoro-8-methyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene;N-pyridin-3-ylformamide
CID 145083452
4-bromo-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 121359591
8-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene;N-pyridin-3-ylformamide
CID 145087241
5-(8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)pyridine-2-carbonitrile;N-pyrazin-2-ylformamide
CID 145087239
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
acetaldehyde;5-fluoro-2-propan-2-ylpyridine;8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxylic acid
CID 145084126
(9S)-N'-hydrazinyl-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboximidamide
CID 145083372
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133
5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 155002021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)formamide;8-methyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 145087195
2,2,2-trifluoroethyl 8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxylate
CID 145083893
8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
CID 155001604

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 145083658) is 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is Cc1ccc(-c2nc3c(cc2F)N2CCC(C2)N3C)cn1.
What is the InChIKey of 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is OISYWGPVLHPCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-10-3-4-11(8-18-10)15-13(17)7-14-16(19-15)20(2)12-5-6-21(14)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3.
What are the key properties of 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 284.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-methyl-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 145083658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).