4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate

C11H16N4O4 — CID 147149978

IUPAC4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate
SMILESCOC(=O)c1nnn2c1N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C11H16N4O4/c1-11(2,3)19-10(17)14-5-6-15-8(14)7(12-13-15)9(16)18-4/h5-6H2,1-4H3
InChIKeyBTULTDSPYQFJGJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.82
Rot. Bonds1

About 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate

4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate (PubChem CID 147149978) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate
PubChem CID147149978
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate
SMILESCOC(=O)c1nnn2c1N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C11H16N4O4/c1-11(2,3)19-10(17)14-5-6-15-8(14)7(12-13-15)9(16)18-4/h5-6H2,1-4H3
InChIKeyBTULTDSPYQFJGJ-UHFFFAOYSA-N
XLogP0.82
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-bromo-5,6-dihydroimidazo[1,2-c]triazole-4-carboxylate
CID 146661992
5-O-tert-butyl 2-O-methyl 3-iodo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
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methyl 5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylate
CID 10542976
1-O-tert-butyl 4-O,5-O-dimethyl imidazole-1,4,5-tricarboxylate
CID 58928819
1-O-tert-butyl 4-O-methyl 5-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 139034369
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-azete-4-carboxylic acid
CID 167718053
5-O-tert-butyl 2-O-methyl 3-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
CID 170622132
dimethyl 1-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]triazole-4,5-dicarboxylate
CID 16720365
tert-butyl 5-(4-methoxycarbonylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 177118815
1-O-tert-butyl 4-O-methyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CID 170172213
methyl 1-methyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzotriazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate (CID 147149978) is 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate is COC(=O)c1nnn2c1N(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate?
The InChIKey is BTULTDSPYQFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(2,3)19-10(17)14-5-6-15-8(14)7(12-13-15)9(16)18-4/h5-6H2,1-4H3.
What are the key properties of 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate?
4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate has a molecular weight of 268.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate is sourced from PubChem (CID 147149978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).