methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

C13H10N4O2 — CID 117145359

IUPACmethyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccncc3)nnc2c1
InChIInChI=1S/C13H10N4O2/c1-19-13(18)10-4-7-17-11(8-10)15-16-12(17)9-2-5-14-6-3-9/h2-8H,1H3
InChIKeyTVPVPFAFKKEFCP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.58
Rot. Bonds2

About methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (PubChem CID 117145359) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
PubChem CID117145359
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Namemethyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3ccncc3)nnc2c1
InChIInChI=1S/C13H10N4O2/c1-19-13(18)10-4-7-17-11(8-10)15-16-12(17)9-2-5-14-6-3-9/h2-8H,1H3
InChIKeyTVPVPFAFKKEFCP-UHFFFAOYSA-N
XLogP1.58
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257309
methyl 3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145231
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
methyl 3-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 106754119
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(thian-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145085
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257323
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
3-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197100
4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158557
trimethyl 7-pyridin-4-ylindolizine-1,2,3-tricarboxylate
CID 71421645

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (CID 117145359) is methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3ccncc3)nnc2c1.
What is the InChIKey of methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The InChIKey is TVPVPFAFKKEFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-19-13(18)10-4-7-17-11(8-10)15-16-12(17)9-2-5-14-6-3-9/h2-8H,1H3.
What are the key properties of methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is sourced from PubChem (CID 117145359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).