4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C13H20N6O — CID 82698976

IUPAC4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-n2nc(CC)cc2CC)n1
InChIInChI=1S/C13H20N6O/c1-5-9-8-10(6-2)19(18-9)12-15-11(14-4)16-13(17-12)20-7-3/h8H,5-7H2,1-4H3,(H,14,15,16,17)
InChIKeyRDNNQCCSCSSUIX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds6

About 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 82698976) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID82698976
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(-n2nc(CC)cc2CC)n1
InChIInChI=1S/C13H20N6O/c1-5-9-8-10(6-2)19(18-9)12-15-11(14-4)16-13(17-12)20-7-3/h8H,5-7H2,1-4H3,(H,14,15,16,17)
InChIKeyRDNNQCCSCSSUIX-UHFFFAOYSA-N
XLogP1.62
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine
CID 80853154
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
CID 82699423
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80854145
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80857692
4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82698978
4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80799026
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392
4-(3,5-dichlorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 114879260
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
6-(3,5-diethylpyrazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773569

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 82698976) is 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(-n2nc(CC)cc2CC)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is RDNNQCCSCSSUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-9-8-10(6-2)19(18-9)12-15-11(14-4)16-13(17-12)20-7-3/h8H,5-7H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82698976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).