methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C12H14N4O2 — CID 117257174

IUPACmethyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(CNC3CC3)n2c1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)8-2-5-10-14-15-11(16(10)7-8)6-13-9-3-4-9/h2,5,7,9,13H,3-4,6H2,1H3
InChIKeyFRLRJAJKJPCRAR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.77
Rot. Bonds4

About methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 117257174) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID117257174
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(CNC3CC3)n2c1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)8-2-5-10-14-15-11(16(10)7-8)6-13-9-3-4-9/h2,5,7,9,13H,3-4,6H2,1H3
InChIKeyFRLRJAJKJPCRAR-UHFFFAOYSA-N
XLogP0.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140093
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
methyl 3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114018630
methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 103558070
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384807
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257442
methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140201

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 117257174) is methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(CNC3CC3)n2c1.
What is the InChIKey of methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is FRLRJAJKJPCRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12(17)8-2-5-10-14-15-11(16(10)7-8)6-13-9-3-4-9/h2,5,7,9,13H,3-4,6H2,1H3.
What are the key properties of methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 117257174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).