5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine

C14H19N5O — CID 112938622

IUPAC5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(Nc2ccccc2OCC)n1
InChIInChI=1S/C14H19N5O/c1-3-9-15-14-18-13(10-16-19-14)17-11-7-5-6-8-12(11)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17,18,19)
InChIKeyJVQOQKCHAANJGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.84
Rot. Bonds7

About 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine

5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938622) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938622
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(Nc2ccccc2OCC)n1
InChIInChI=1S/C14H19N5O/c1-3-9-15-14-18-13(10-16-19-14)17-11-7-5-6-8-12(11)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17,18,19)
InChIKeyJVQOQKCHAANJGB-UHFFFAOYSA-N
XLogP2.84
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-ethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954508
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956258
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949798
3-N-[(4-chlorophenyl)methyl]-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112950686
3-N-(4-chlorophenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966082
5-N-(4-tert-butylphenyl)-3-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965281
5-N-(2,3-dichlorophenyl)-3-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967553
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495
3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943782
3-N-(3-chloro-2-methylphenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966212
6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine
CID 80763066
2-[[3-(propylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112938680

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938622) is 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1nncc(Nc2ccccc2OCC)n1.
What is the InChIKey of 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is JVQOQKCHAANJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-9-15-14-18-13(10-16-19-14)17-11-7-5-6-8-12(11)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).