4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile

C13H8N4O — CID 145128598

IUPAC4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
SMILESN#Cc1ccn2ncn(-c3ccccc3)c(=O)c12
InChIInChI=1S/C13H8N4O/c14-8-10-6-7-17-12(10)13(18)16(9-15-17)11-4-2-1-3-5-11/h1-7,9H
InChIKeyOLVBWPZIRLLKFU-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.36
Rot. Bonds1

About 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile

4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile (PubChem CID 145128598) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile.

Molecular Properties

Compound Name4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
PubChem CID145128598
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
SMILESN#Cc1ccn2ncn(-c3ccccc3)c(=O)c12
InChIInChI=1S/C13H8N4O/c14-8-10-6-7-17-12(10)13(18)16(9-15-17)11-4-2-1-3-5-11/h1-7,9H
InChIKeyOLVBWPZIRLLKFU-UHFFFAOYSA-N
XLogP1.36
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 141395682
2-[(1S)-1-aminoethyl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 155905088
4-methyl-6-oxo-1-phenylpyrimidine-5-carbonitrile
CID 13306025
2-oxo-1-phenylpyridine-3,5-dicarbonitrile
CID 53306487
2-[1-(2-amino-5-cyano-6-methylpyrimidin-4-yl)azetidin-2-yl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 90032496
2-[(2S)-1-(2-amino-5-cyano-6-methylpyrimidin-4-yl)azetidin-2-yl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 90032495
5-amino-2-oxo-1-phenylpyridine-3-carbonitrile
CID 82043803
5-chloro-3-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 122462511
5-chloro-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 123195529
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802
7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 582961
2-[(2S)-1-[(5Z)-2-amino-5-ethylidene-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]azetidin-2-yl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 145128545

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
The IUPAC name of 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile (CID 145128598) is 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile.
What is the SMILES notation for 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
The canonical SMILES for 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile is N#Cc1ccn2ncn(-c3ccccc3)c(=O)c12.
What is the InChIKey of 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
The InChIKey is OLVBWPZIRLLKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c14-8-10-6-7-17-12(10)13(18)16(9-15-17)11-4-2-1-3-5-11/h1-7,9H.
What are the key properties of 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile?
4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile is sourced from PubChem (CID 145128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).