propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C17H19FN4O2 — CID 58945831

IUPACpropyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCOC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-2-11-24-17(23)21-9-7-13(8-10-21)16-12-22(20-19-16)15-5-3-14(18)4-6-15/h3-7,12H,2,8-11H2,1H3
InChIKeyLRPNIBROKGPAQJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.04
Rot. Bonds4

About propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58945831) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58945831
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Namepropyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCOC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-2-11-24-17(23)21-9-7-13(8-10-21)16-12-22(20-19-16)15-5-3-14(18)4-6-15/h3-7,12H,2,8-11H2,1H3
InChIKeyLRPNIBROKGPAQJ-UHFFFAOYSA-N
XLogP3.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58945831) is propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCCOC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LRPNIBROKGPAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-11-24-17(23)21-9-7-13(8-10-21)16-12-22(20-19-16)15-5-3-14(18)4-6-15/h3-7,12H,2,8-11H2,1H3.
What are the key properties of propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[1-(4-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58945831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).