8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

C16H18FN5O3 — CID 16861258

IUPAC8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1
InChIInChI=1S/C16H18FN5O3/c1-10(9-25-2)18-14(23)13-15(24)22-8-7-21(16(22)20-19-13)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,23)
InChIKeyTZSKABNTFNXAKN-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.69
Rot. Bonds5

About 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 16861258) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
PubChem CID16861258
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1
InChIInChI=1S/C16H18FN5O3/c1-10(9-25-2)18-14(23)13-15(24)22-8-7-21(16(22)20-19-13)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,23)
InChIKeyTZSKABNTFNXAKN-UHFFFAOYSA-N
XLogP0.69
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 42477165
8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 42477295
N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861128
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24639520
N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 30607914
methyl 2-[[7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]butanoate
CID 18570044
1-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 29354852
N-butan-2-yl-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088701
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861098
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
2-[[7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 27532492

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 16861258) is 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is COCC(C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is TZSKABNTFNXAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-10(9-25-2)18-14(23)13-15(24)22-8-7-21(16(22)20-19-13)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,23).
What are the key properties of 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 16861258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).