1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one

C18H17FN6O2 — CID 68786098

IUPAC1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one
SMILESCCOc1nc(N2CCC(=O)CC2)c2nc(-c3ccc(F)cc3)nnc2n1
InChIInChI=1S/C18H17FN6O2/c1-2-27-18-21-16-14(17(22-18)25-9-7-13(26)8-10-25)20-15(23-24-16)11-3-5-12(19)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyPGICUYVBQGCOFB-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.19
Rot. Bonds4

About 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one

1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one (PubChem CID 68786098) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one
PubChem CID68786098
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one
SMILESCCOc1nc(N2CCC(=O)CC2)c2nc(-c3ccc(F)cc3)nnc2n1
InChIInChI=1S/C18H17FN6O2/c1-2-27-18-21-16-14(17(22-18)25-9-7-13(26)8-10-25)20-15(23-24-16)11-3-5-12(19)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyPGICUYVBQGCOFB-UHFFFAOYSA-N
XLogP2.19
TPSA93.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one
CID 95916514
3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846653
5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846851
N-benzyl-3-(4-fluorophenyl)-5-piperazin-1-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846458
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846969
5-(4-benzylpiperazin-1-yl)-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 70876738
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
1-(2,5-diethoxyphenyl)piperidin-4-one
CID 24711374
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
1-[6-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-one
CID 56767373
1-(4-methylphthalazin-1-yl)piperidin-4-one
CID 43395101
1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one
CID 22032214

Frequently Asked Questions

What is the IUPAC name of 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one?
The IUPAC name of 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one (CID 68786098) is 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one.
What is the SMILES notation for 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one?
The canonical SMILES for 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one is CCOc1nc(N2CCC(=O)CC2)c2nc(-c3ccc(F)cc3)nnc2n1.
What is the InChIKey of 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one?
The InChIKey is PGICUYVBQGCOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-2-27-18-21-16-14(17(22-18)25-9-7-13(26)8-10-25)20-15(23-24-16)11-3-5-12(19)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one?
1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one has a molecular weight of 368.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-ethoxy-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-5-yl]piperidin-4-one is sourced from PubChem (CID 68786098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).