3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one

C11H11N5O — CID 138630499

IUPAC3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCn1cc(-c2cc3c(=O)n(C)cnn3c2)cn1
InChIInChI=1S/C11H11N5O/c1-14-7-13-16-6-8(3-10(16)11(14)17)9-4-12-15(2)5-9/h3-7H,1-2H3
InChIKeyUATQYZOLFDHKAG-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.43
Rot. Bonds1

About 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one

3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 138630499) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID138630499
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCn1cc(-c2cc3c(=O)n(C)cnn3c2)cn1
InChIInChI=1S/C11H11N5O/c1-14-7-13-16-6-8(3-10(16)11(14)17)9-4-12-15(2)5-9/h3-7H,1-2H3
InChIKeyUATQYZOLFDHKAG-UHFFFAOYSA-N
XLogP0.43
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride
CID 159184271
6-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 169162772
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;hydrochloride
CID 164572757
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propane-2-sulfonamide
CID 126492040
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
6-(1-methylpyrazol-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 168886506
4-(3,5-dinitrophenyl)-1-methylpyrazole
CID 121277839
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
4-cyclopentyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355394

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 138630499) is 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one is Cn1cc(-c2cc3c(=O)n(C)cnn3c2)cn1.
What is the InChIKey of 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is UATQYZOLFDHKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-14-7-13-16-6-8(3-10(16)11(14)17)9-4-12-15(2)5-9/h3-7H,1-2H3.
What are the key properties of 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 229.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 138630499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).