12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

C19H19F3N4 — CID 123515033

IUPAC12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
SMILESCc1cc2c3c(n(CCc4ccc(C(F)(F)F)nc4)c2cn1)CCNC3
InChIInChI=1S/C19H19F3N4/c1-12-8-14-15-10-23-6-4-16(15)26(17(14)11-24-12)7-5-13-2-3-18(25-9-13)19(20,21)22/h2-3,8-9,11,23H,4-7,10H2,1H3
InChIKeyAFCNRYVDOPSNPK-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.65
Rot. Bonds3

About 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (PubChem CID 123515033) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

Molecular Properties

Compound Name12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
PubChem CID123515033
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
SMILESCc1cc2c3c(n(CCc4ccc(C(F)(F)F)nc4)c2cn1)CCNC3
InChIInChI=1S/C19H19F3N4/c1-12-8-14-15-10-23-6-4-16(15)26(17(14)11-24-12)7-5-13-2-3-18(25-9-13)19(20,21)22/h2-3,8-9,11,23H,4-7,10H2,1H3
InChIKeyAFCNRYVDOPSNPK-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?
The IUPAC name of 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (CID 123515033) is 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.
What is the SMILES notation for 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?
The canonical SMILES for 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is Cc1cc2c3c(n(CCc4ccc(C(F)(F)F)nc4)c2cn1)CCNC3.
What is the InChIKey of 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?
The InChIKey is AFCNRYVDOPSNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-12-8-14-15-10-23-6-4-16(15)26(17(14)11-24-12)7-5-13-2-3-18(25-9-13)19(20,21)22/h2-3,8-9,11,23H,4-7,10H2,1H3.
What are the key properties of 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?
12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene has a molecular weight of 360.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is sourced from PubChem (CID 123515033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).