1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone

C14H12N4O — CID 141191652

IUPAC1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)c2c(N)ncnn12
InChIInChI=1S/C14H12N4O/c1-9(19)12-7-11(10-5-3-2-4-6-10)13-14(15)16-8-17-18(12)13/h2-8H,1H3,(H2,15,16,17)
InChIKeyXTCXIOBBCKUVLQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.18
Rot. Bonds2

About 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone

1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone (PubChem CID 141191652) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
PubChem CID141191652
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)c2c(N)ncnn12
InChIInChI=1S/C14H12N4O/c1-9(19)12-7-11(10-5-3-2-4-6-10)13-14(15)16-8-17-18(12)13/h2-8H,1H3,(H2,15,16,17)
InChIKeyXTCXIOBBCKUVLQ-UHFFFAOYSA-N
XLogP2.18
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(7-acetyl-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-(6-bromo-2-pyridinyl)urea
CID 59232079
1-[4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-bromoethanone
CID 141191629
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 150755871
7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 141191635
5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130447829
4-amino-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 59231993
4-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylic acid
CID 130447831
4-amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
CID 141191644
4-amino-N-(2,2-dimethylpropyl)-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 162604491
1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
CID 139373664
1-[4-[[4-amino-5-(4-amino-3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-1-yl]ethanone
CID 59231992
tert-butyl 4-[4-amino-5-[3-(2-phenylacetyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 58529610

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone?
The IUPAC name of 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone (CID 141191652) is 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone.
What is the SMILES notation for 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone?
The canonical SMILES for 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone is CC(=O)c1cc(-c2ccccc2)c2c(N)ncnn12.
What is the InChIKey of 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone?
The InChIKey is XTCXIOBBCKUVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9(19)12-7-11(10-5-3-2-4-6-10)13-14(15)16-8-17-18(12)13/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone?
1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone has a molecular weight of 252.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone is sourced from PubChem (CID 141191652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).