ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate

C13H18N6O2 — CID 106304050

IUPACethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NCc2nncn2CC)c1N
InChIInChI=1S/C13H18N6O2/c1-3-19-8-17-18-10(19)7-16-12-11(14)9(5-6-15-12)13(20)21-4-2/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyPJGQRXSZDUSKAA-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.06
Rot. Bonds6

About ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate

ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate (PubChem CID 106304050) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate
PubChem CID106304050
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Nameethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NCc2nncn2CC)c1N
InChIInChI=1S/C13H18N6O2/c1-3-19-8-17-18-10(19)7-16-12-11(14)9(5-6-15-12)13(20)21-4-2/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyPJGQRXSZDUSKAA-UHFFFAOYSA-N
XLogP1.06
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114170880
2-amino-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 114170962
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
CID 106301855
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 106302999
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 106544213
ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341966
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 106303289
methyl 3-amino-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoate
CID 106304059
3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 106304058
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114195553

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate (CID 106304050) is ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NCc2nncn2CC)c1N.
What is the InChIKey of ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate?
The InChIKey is PJGQRXSZDUSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-3-19-8-17-18-10(19)7-16-12-11(14)9(5-6-15-12)13(20)21-4-2/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate?
ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate has a molecular weight of 290.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106304050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).