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

C14H12ClN3O — CID 144557981

IUPAC5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1nn2ccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H12ClN3O/c1-2-12-16-17-9-8-11(15)13(17)14(19)18(12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyUBUBWQMORLSFEU-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.70
Rot. Bonds2

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

5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 144557981) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID144557981
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1nn2ccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H12ClN3O/c1-2-12-16-17-9-8-11(15)13(17)14(19)18(12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyUBUBWQMORLSFEU-UHFFFAOYSA-N
XLogP2.70
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methylsulfanyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 145128508
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557996
tert-butyl N-[(5-chloro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]-N-[(2S)-2-(2-methoxyethoxy)butyl]carbamate
CID 144558052
2-[[[6-amino-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557890
2-[[(2S)-azetidin-2-yl]-sulfanylmethyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 152933290
5-chloro-2-[[2-fluoropropyl(7H-purin-6-yl)amino]methyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557880
5-chloro-3-cyclohexa-1,5-dien-1-yl-2-(ethylaminomethyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144558045
5-chloro-3-(3-fluorophenyl)-2-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134433516
2-ethyl-3-phenylquinazolin-4-one
CID 719985
tert-butyl N-ethyl-N-[(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]carbamate
CID 123696790
5-chloro-2-[2-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-sulfanylethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557843

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 144557981) is 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCc1nn2ccc(Cl)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is UBUBWQMORLSFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-2-12-16-17-9-8-11(15)13(17)14(19)18(12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 273.72 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 144557981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).