methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate

C15H11N5O2 — CID 134998784

IUPACmethyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncc(-c3ccncc3)nn2)nc1
InChIInChI=1S/C15H11N5O2/c1-22-15(21)11-2-3-12(17-8-11)14-18-9-13(19-20-14)10-4-6-16-7-5-10/h2-9H,1H3
InChIKeyMBWMOBXDFWUSOZ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.78
Rot. Bonds3

About methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate

methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate (PubChem CID 134998784) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate
PubChem CID134998784
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Namemethyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncc(-c3ccncc3)nn2)nc1
InChIInChI=1S/C15H11N5O2/c1-22-15(21)11-2-3-12(17-8-11)14-18-9-13(19-20-14)10-4-6-16-7-5-10/h2-9H,1H3
InChIKeyMBWMOBXDFWUSOZ-UHFFFAOYSA-N
XLogP1.78
TPSA90.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate
CID 116865102
5-methoxy-2-pyridin-4-ylpyridine
CID 46315979
methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
CID 20707169
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
(111C)methyl pyridine-3-carboxylate
CID 11309537
dichloroplatinum;bis(methyl pyridine-4-carboxylate)
CID 4684281

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate (CID 134998784) is methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2ncc(-c3ccncc3)nn2)nc1.
What is the InChIKey of methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate?
The InChIKey is MBWMOBXDFWUSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-22-15(21)11-2-3-12(17-8-11)14-18-9-13(19-20-14)10-4-6-16-7-5-10/h2-9H,1H3.
What are the key properties of methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate?
methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate has a molecular weight of 293.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-pyridin-4-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 134998784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).