5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one

C16H17N3O — CID 134446028

IUPAC5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCCc1nn2ccc(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H17N3O/c1-3-7-14-17-18-11-10-12(2)15(18)16(20)19(14)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3
InChIKeyNSNIVKWHOKITBV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.75
Rot. Bonds3

About 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one

5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 134446028) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID134446028
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCCc1nn2ccc(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H17N3O/c1-3-7-14-17-18-11-10-12(2)15(18)16(20)19(14)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3
InChIKeyNSNIVKWHOKITBV-UHFFFAOYSA-N
XLogP2.75
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methylbenzamide
CID 9872853
N-Benzyl-N,1-dimethylpyrrole-2-carboxamide
CID 11064199
N-[(4-fluorophenyl)methyl]-N,1-dimethyl-1H-pyrrole-2-carboxamide
CID 11064689
1-Methyl-1H-pyrrole-2-carboxylic acid (3-fluoro-benzyl)-methyl-amide
CID 11746926
N-[(2-fluorophenyl)methyl]-N,1-dimethyl-1H-pyrrole-2-carboxamide
CID 11806940
4-Methyl-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 16017226
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16017245

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 134446028) is 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCCc1nn2ccc(C)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NSNIVKWHOKITBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-7-14-17-18-11-10-12(2)15(18)16(20)19(14)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one?
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 267.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 134446028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).