5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one

C14H13N3O — CID 141395682

IUPAC5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1ccn2ncn(-c3ccccc3)c(=O)c12
InChIInChI=1S/C14H13N3O/c1-2-11-8-9-17-13(11)14(18)16(10-15-17)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyWPFSOPDJKJTDML-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.05
Rot. Bonds2

About 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one

5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 141395682) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID141395682
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1ccn2ncn(-c3ccccc3)c(=O)c12
InChIInChI=1S/C14H13N3O/c1-2-11-8-9-17-13(11)14(18)16(10-15-17)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyWPFSOPDJKJTDML-UHFFFAOYSA-N
XLogP2.05
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 145128598
2-ethyl-4-phenyl-1,2,4-triazol-3-one
CID 155061620
5-chloro-3-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 122462511
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802
5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557981
5-(2-ethylphenyl)-1-phenylimidazole
CID 160833005
5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 123195529
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
bromo 4-ethyl-1-phenylpyrazole-3-carboxylate
CID 91569504
4-[2-(5-ethyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 90033748
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
1-phenyl-5-propylimidazole-4-carbaldehyde
CID 91313172

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 141395682) is 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCc1ccn2ncn(-c3ccccc3)c(=O)c12.
What is the InChIKey of 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is WPFSOPDJKJTDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-11-8-9-17-13(11)14(18)16(10-15-17)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 239.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 141395682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).