3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine

C21H17ClFN3 — CID 24785659

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine
SMILESFc1ccccc1-c1nnc(C2(c3ccc(Cl)cc3)CC2)nc1C1CC1
InChIInChI=1S/C21H17ClFN3/c22-15-9-7-14(8-10-15)21(11-12-21)20-24-18(13-5-6-13)19(25-26-20)16-3-1-2-4-17(16)23/h1-4,7-10,13H,5-6,11-12H2
InChIKeyYZTMTDINJDVZNL-UHFFFAOYSA-N
MW365.84 g/mol
LogP5.29
Rot. Bonds4

About 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine

3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine (PubChem CID 24785659) has the molecular formula C21H17ClFN3 and a molecular weight of 365.84 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine
PubChem CID24785659
Molecular FormulaC21H17ClFN3
Molecular Weight365.84 g/mol
Exact Mass365.11
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine
SMILESFc1ccccc1-c1nnc(C2(c3ccc(Cl)cc3)CC2)nc1C1CC1
InChIInChI=1S/C21H17ClFN3/c22-15-9-7-14(8-10-15)21(11-12-21)20-24-18(13-5-6-13)19(25-26-20)16-3-1-2-4-17(16)23/h1-4,7-10,13H,5-6,11-12H2
InChIKeyYZTMTDINJDVZNL-UHFFFAOYSA-N
XLogP5.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.84
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine (CID 24785659) is 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine is Fc1ccccc1-c1nnc(C2(c3ccc(Cl)cc3)CC2)nc1C1CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine?
The InChIKey is YZTMTDINJDVZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3/c22-15-9-7-14(8-10-15)21(11-12-21)20-24-18(13-5-6-13)19(25-26-20)16-3-1-2-4-17(16)23/h1-4,7-10,13H,5-6,11-12H2.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine?
3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine has a molecular weight of 365.84 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-5-cyclopropyl-6-(2-fluorophenyl)-1,2,4-triazine is sourced from PubChem (CID 24785659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).