4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C10H11N3O3 — CID 135507618

IUPAC4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCC(C)c1c(C(=O)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H11N3O3/c1-5(2)7-6(10(15)16)3-13-8(7)9(14)11-4-12-13/h3-5H,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyRDTOKNNZJDHPHQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.84
Rot. Bonds2

About 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 135507618) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID135507618
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESCC(C)c1c(C(=O)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H11N3O3/c1-5(2)7-6(10(15)16)3-13-8(7)9(14)11-4-12-13/h3-5H,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyRDTOKNNZJDHPHQ-UHFFFAOYSA-N
XLogP0.84
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid with MolForge

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Related Compounds

Imazapic
CID 91770
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
4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 135408952
Imazapic, (-)-
CID 51529143
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
Imazapic, (+)-
CID 11471352
5-cyclopropyl-2-(3-fluoro-4-methylphenyl)-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 156365409
2-(4-fluoro-3-methylphenyl)-4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 156365610
2-(3-fluoro-4-methylphenyl)-4-oxo-5-(trifluoromethyl)-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 156379154
2-(3-fluoro-4-methylphenyl)-4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 156379504
1-Ethyl-4-methyl-2-[2-(3-methylbutylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 53096012

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 135507618) is 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is CC(C)c1c(C(=O)O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is RDTOKNNZJDHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5(2)7-6(10(15)16)3-13-8(7)9(14)11-4-12-13/h3-5H,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 135507618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).