4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine

C18H24N4 — CID 145190311

IUPAC4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine
SMILESC/C=C\c1cc(C2NNC(C3=CCNC=C3)N2)ccc1CC
InChIInChI=1S/C18H24N4/c1-3-5-15-12-16(7-6-13(15)4-2)18-20-17(21-22-18)14-8-10-19-11-9-14/h3,5-10,12,17-22H,4,11H2,1-2H3/b5-3-
InChIKeyNHNXHMZSBAFGGN-HYXAFXHYSA-N
MW296.42 g/mol
LogP2.35
Rot. Bonds4

About 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine

4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine (PubChem CID 145190311) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine
PubChem CID145190311
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine
SMILESC/C=C\c1cc(C2NNC(C3=CCNC=C3)N2)ccc1CC
InChIInChI=1S/C18H24N4/c1-3-5-15-12-16(7-6-13(15)4-2)18-20-17(21-22-18)14-8-10-19-11-9-14/h3,5-10,12,17-22H,4,11H2,1-2H3/b5-3-
InChIKeyNHNXHMZSBAFGGN-HYXAFXHYSA-N
XLogP2.35
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine?
The IUPAC name of 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine (CID 145190311) is 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine.
What is the SMILES notation for 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine?
The canonical SMILES for 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine is C/C=C\c1cc(C2NNC(C3=CCNC=C3)N2)ccc1CC.
What is the InChIKey of 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine?
The InChIKey is NHNXHMZSBAFGGN-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-5-15-12-16(7-6-13(15)4-2)18-20-17(21-22-18)14-8-10-19-11-9-14/h3,5-10,12,17-22H,4,11H2,1-2H3/b5-3-.
What are the key properties of 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine?
4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine has a molecular weight of 296.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]-1,2,4-triazolidin-3-yl]-1,2-dihydropyridine is sourced from PubChem (CID 145190311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).