5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one

C12H14N4O2 — CID 7541113

IUPAC5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
SMILESCCCOc1ccccc1Nc1cn[nH]c(=O)n1
InChIInChI=1S/C12H14N4O2/c1-2-7-18-10-6-4-3-5-9(10)14-11-8-13-16-12(17)15-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17)
InChIKeyTZVVNXXAAIMLEQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.70
Rot. Bonds5

About 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one

5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one (PubChem CID 7541113) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
PubChem CID7541113
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
SMILESCCCOc1ccccc1Nc1cn[nH]c(=O)n1
InChIInChI=1S/C12H14N4O2/c1-2-7-18-10-6-4-3-5-9(10)14-11-8-13-16-12(17)15-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17)
InChIKeyTZVVNXXAAIMLEQ-UHFFFAOYSA-N
XLogP1.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one
CID 22694039
5-(2-propoxyanilino)-2H-1,2,4-triazine-3-thione
CID 23412165
5-(3,4-diethoxyanilino)-2H-1,2,4-triazin-3-one
CID 20995208
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one
CID 135899964
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
5-methyl-2-N-(2-propoxyphenyl)pyridine-2,3-diamine
CID 82059608
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 99818406
5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938622

Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one (CID 7541113) is 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one is CCCOc1ccccc1Nc1cn[nH]c(=O)n1.
What is the InChIKey of 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one?
The InChIKey is TZVVNXXAAIMLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-7-18-10-6-4-3-5-9(10)14-11-8-13-16-12(17)15-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one?
5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 7541113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).