7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid

C10H12N4O4 — CID 137157964

IUPAC7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid
SMILESCc1nn2c(C(C)(C)O)nc(C(=O)O)c2c(=O)[nH]1
InChIInChI=1S/C10H12N4O4/c1-4-11-7(15)6-5(8(16)17)12-9(10(2,3)18)14(6)13-4/h18H,1-3H3,(H,16,17)(H,11,13,15)
InChIKeyVSQWGAWFTUVUEP-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.35
Rot. Bonds2

About 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid

7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid (PubChem CID 137157964) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid
PubChem CID137157964
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid
SMILESCc1nn2c(C(C)(C)O)nc(C(=O)O)c2c(=O)[nH]1
InChIInChI=1S/C10H12N4O4/c1-4-11-7(15)6-5(8(16)17)12-9(10(2,3)18)14(6)13-4/h18H,1-3H3,(H,16,17)(H,11,13,15)
InChIKeyVSQWGAWFTUVUEP-UHFFFAOYSA-N
XLogP-0.35
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid with MolForge

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Related Compounds

7-acetyl-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid
CID 137157966
ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate
CID 137288424
3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
CID 135905248
5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137186362
7-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-5-(hydroxymethyl)-2-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137305679
5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
CID 83670470
2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 4186658
2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 135881426
2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one
CID 158000206
7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137128182
5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid
CID 150845253
2-[(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
CID 135840568

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid (CID 137157964) is 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid is Cc1nn2c(C(C)(C)O)nc(C(=O)O)c2c(=O)[nH]1.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid?
The InChIKey is VSQWGAWFTUVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-4-11-7(15)6-5(8(16)17)12-9(10(2,3)18)14(6)13-4/h18H,1-3H3,(H,16,17)(H,11,13,15).
What are the key properties of 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid?
7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylic acid is sourced from PubChem (CID 137157964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).