5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid

C14H17N5O2 — CID 105362161

IUPAC5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCc1nnc(NCc2ccc(C(=O)O)nc2)nc1CC
InChIInChI=1S/C14H17N5O2/c1-3-10-11(4-2)18-19-14(17-10)16-8-9-5-6-12(13(20)21)15-7-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)(H,16,17,19)
InChIKeyRGRCHOPYOODESD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.70
Rot. Bonds6

About 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid

5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 105362161) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID105362161
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCc1nnc(NCc2ccc(C(=O)O)nc2)nc1CC
InChIInChI=1S/C14H17N5O2/c1-3-10-11(4-2)18-19-14(17-10)16-8-9-5-6-12(13(20)21)15-7-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)(H,16,17,19)
InChIKeyRGRCHOPYOODESD-UHFFFAOYSA-N
XLogP1.70
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 107543116
5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
CID 81088915
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
CID 81099516
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
CID 105362499
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373

Frequently Asked Questions

What is the IUPAC name of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid (CID 105362161) is 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid is CCc1nnc(NCc2ccc(C(=O)O)nc2)nc1CC.
What is the InChIKey of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RGRCHOPYOODESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-10-11(4-2)18-19-14(17-10)16-8-9-5-6-12(13(20)21)15-7-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)(H,16,17,19).
What are the key properties of 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 105362161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).