methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate

C7H7N5O2 — CID 44630672

IUPACmethyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate
SMILESCOC(=O)c1cnn2c(N)cnc2n1
InChIInChI=1S/C7H7N5O2/c1-14-6(13)4-2-10-12-5(8)3-9-7(12)11-4/h2-3H,8H2,1H3
InChIKeyQNQXYPJNKBCLOU-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.51
Rot. Bonds1

About methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate

methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate (PubChem CID 44630672) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate
PubChem CID44630672
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Namemethyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate
SMILESCOC(=O)c1cnn2c(N)cnc2n1
InChIInChI=1S/C7H7N5O2/c1-14-6(13)4-2-10-12-5(8)3-9-7(12)11-4/h2-3H,8H2,1H3
InChIKeyQNQXYPJNKBCLOU-UHFFFAOYSA-N
XLogP-0.51
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28935045
methyl 3-amino-1,2,4-triazine-5-carboxylate
CID 105430024
methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 70317954
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212
2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461318
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 53367635
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
methyl 5-oxo-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200466
dimethyl 5-aminopyrazole-1,3-dicarboxylate
CID 163321502
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856

Frequently Asked Questions

What is the IUPAC name of methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate?
The IUPAC name of methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate (CID 44630672) is methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate?
The canonical SMILES for methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate is COC(=O)c1cnn2c(N)cnc2n1.
What is the InChIKey of methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate?
The InChIKey is QNQXYPJNKBCLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-14-6(13)4-2-10-12-5(8)3-9-7(12)11-4/h2-3H,8H2,1H3.
What are the key properties of methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate?
methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate has a molecular weight of 193.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 44630672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).