6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C10H13N3O2 — CID 135620568

IUPAC6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(C)(C)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H13N3O2/c1-6-7(10(2,3)15)4-13-8(6)9(14)11-5-12-13/h4-5,15H,1-3H3,(H,11,12,14)
InChIKeyYANYBIWYQVVFPQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.56
Rot. Bonds1

About 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135620568) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135620568
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(C)(C)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H13N3O2/c1-6-7(10(2,3)15)4-13-8(6)9(14)11-5-12-13/h4-5,15H,1-3H3,(H,11,12,14)
InChIKeyYANYBIWYQVVFPQ-UHFFFAOYSA-N
XLogP0.56
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-F][1,2,4]triazine-6-carboxylate
CID 135410235
Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135510278
5,6-Dimethylpyrrolo[2,1-f][1,2,4]triazin-4-ol
CID 135905369
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
5-Oxido-3-(1,2,2-trihydroxyethenyl)-1,6-dihydropyrrolo[2,3-d]pyridazin-5-ium-7-one
CID 135539625
5-Methyl-4-oxo-3-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 58328232
5-Isopropyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 135507618
5-Methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 135601396
3-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)propanoic acid
CID 135601397
Methyl 5-ethyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135740095
Ethyl 5-ethyl-4-hydroxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135742072
4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 135752495

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135620568) is 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(C)(C)O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is YANYBIWYQVVFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-7(10(2,3)15)4-13-8(6)9(14)11-5-12-13/h4-5,15H,1-3H3,(H,11,12,14).
What are the key properties of 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135620568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).