N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide

C15H12F2N4O2 — CID 126457291

IUPACN-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)n1ncn2cccc2c1=O
InChIInChI=1S/C15H12F2N4O2/c1-9(14(22)19-12-7-10(16)4-5-11(12)17)21-15(23)13-3-2-6-20(13)8-18-21/h2-9H,1H3,(H,19,22)
InChIKeyDIQMPDMTCRZAHY-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.97
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide

N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide (PubChem CID 126457291) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
PubChem CID126457291
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC NameN-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)n1ncn2cccc2c1=O
InChIInChI=1S/C15H12F2N4O2/c1-9(14(22)19-12-7-10(16)4-5-11(12)17)21-15(23)13-3-2-6-20(13)8-18-21/h2-9H,1H3,(H,19,22)
InChIKeyDIQMPDMTCRZAHY-UHFFFAOYSA-N
XLogP1.97
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
N-[(E)-[4-(4-Fluoroanilino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 9592393
N-[2-(dimethylamino)ethyl]-2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamide
CID 16018228
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514420
N-(2-Ethylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514435
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514526
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 25161578
1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-benzylamide
CID 11085643

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide (CID 126457291) is N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide is CC(C(=O)Nc1cc(F)ccc1F)n1ncn2cccc2c1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The InChIKey is DIQMPDMTCRZAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-9(14(22)19-12-7-10(16)4-5-11(12)17)21-15(23)13-3-2-6-20(13)8-18-21/h2-9H,1H3,(H,19,22).
What are the key properties of N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide has a molecular weight of 318.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide is sourced from PubChem (CID 126457291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).