methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate

C12H11N5O2 — CID 113231454

IUPACmethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2cn3ccccc3n2)nn1
InChIInChI=1S/C12H11N5O2/c1-19-12(18)10-8-17(15-14-10)7-9-6-16-5-3-2-4-11(16)13-9/h2-6,8H,7H2,1H3
InChIKeyRJAAAWLKBKEQPK-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.76
Rot. Bonds3

About methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate

methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate (PubChem CID 113231454) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
PubChem CID113231454
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Namemethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2cn3ccccc3n2)nn1
InChIInChI=1S/C12H11N5O2/c1-19-12(18)10-8-17(15-14-10)7-9-6-16-5-3-2-4-11(16)13-9/h2-6,8H,7H2,1H3
InChIKeyRJAAAWLKBKEQPK-UHFFFAOYSA-N
XLogP0.76
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 78955690
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
CID 37089479
methyl 1-(naphthalen-2-ylmethyl)triazole-4-carboxylate
CID 122241268
[5-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]-2-pyridinyl]methanol
CID 166401701
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 139487972
methyl 1-[(1-butan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103108014
methyl 1-(1,3-benzothiazol-2-ylmethyl)triazole-4-carboxylate
CID 103107574
methyl 4-(imidazo[1,2-a]pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 20883386
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 134011388
methyl 1-phenacyltriazole-4-carboxylate
CID 56771311

Frequently Asked Questions

What is the IUPAC name of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
The IUPAC name of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate (CID 113231454) is methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
The canonical SMILES for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate is COC(=O)c1cn(Cc2cn3ccccc3n2)nn1.
What is the InChIKey of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
The InChIKey is RJAAAWLKBKEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-19-12(18)10-8-17(15-14-10)7-9-6-16-5-3-2-4-11(16)13-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate?
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate is sourced from PubChem (CID 113231454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).