methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate

C12H11N5O2 — CID 78955690

IUPACmethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncn(Cc2cn3ccccc3n2)n1
InChIInChI=1S/C12H11N5O2/c1-19-12(18)11-13-8-17(15-11)7-9-6-16-5-3-2-4-10(16)14-9/h2-6,8H,7H2,1H3
InChIKeyLCQZOJJEBHDGAU-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.76
Rot. Bonds3

About methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate

methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate (PubChem CID 78955690) 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)-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
PubChem CID78955690
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Namemethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
SMILESCOC(=O)c1ncn(Cc2cn3ccccc3n2)n1
InChIInChI=1S/C12H11N5O2/c1-19-12(18)11-13-8-17(15-11)7-9-6-16-5-3-2-4-10(16)14-9/h2-6,8H,7H2,1H3
InChIKeyLCQZOJJEBHDGAU-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)triazole-4-carboxylate
CID 113231454
methyl 1-benzyl-1,2,4-triazole-3-carboxylate
CID 67023628
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359666
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
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
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 103973250
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 78836239
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62025948
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618

Frequently Asked Questions

What is the IUPAC name of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate?
The IUPAC name of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate (CID 78955690) is methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate?
The canonical SMILES for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate is COC(=O)c1ncn(Cc2cn3ccccc3n2)n1.
What is the InChIKey of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate?
The InChIKey is LCQZOJJEBHDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-19-12(18)11-13-8-17(15-11)7-9-6-16-5-3-2-4-10(16)14-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxylate?
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazole-3-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)-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 78955690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).