methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate

C12H16N6O2 — CID 114407186

IUPACmethyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C12H16N6O2/c1-18-7-15-10(17-18)5-6-14-11-8(13)3-4-9(16-11)12(19)20-2/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeySSGFDVNESXAUOE-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.23
Rot. Bonds5

About methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate

methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate (PubChem CID 114407186) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate
PubChem CID114407186
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Namemethyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C12H16N6O2/c1-18-7-15-10(17-18)5-6-14-11-8(13)3-4-9(16-11)12(19)20-2/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeySSGFDVNESXAUOE-UHFFFAOYSA-N
XLogP0.23
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-amino-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 80686280
methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
CID 114406367
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-2-carboxylate
CID 80688690
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
ethyl 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 80688609
methyl 2,3-difluoro-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 80683986
methyl 5-amino-3-chloro-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 107196358
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80854180
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate (CID 114407186) is methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NCCc2ncn(C)n2)n1.
What is the InChIKey of methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate?
The InChIKey is SSGFDVNESXAUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-18-7-15-10(17-18)5-6-14-11-8(13)3-4-9(16-11)12(19)20-2/h3-4,7H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 114407186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).