N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine

C13H20N6O2 — CID 116806261

IUPACN-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Oc2cnn(CCC)c2)n1
InChIInChI=1S/C13H20N6O2/c1-4-6-19-9-10(8-15-19)21-13-17-11(14-3)16-12(18-13)20-7-5-2/h8-9H,4-7H2,1-3H3,(H,14,16,17,18)
InChIKeyHSHDJUVRQUHHAI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.10
Rot. Bonds8

About N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine

N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 116806261) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
PubChem CID116806261
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Oc2cnn(CCC)c2)n1
InChIInChI=1S/C13H20N6O2/c1-4-6-19-9-10(8-15-19)21-13-17-11(14-3)16-12(18-13)20-7-5-2/h8-9H,4-7H2,1-3H3,(H,14,16,17,18)
InChIKeyHSHDJUVRQUHHAI-UHFFFAOYSA-N
XLogP2.10
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 116806821
4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116794366
4-propoxy-1-propylpyrazole
CID 116805185
N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
CID 114788091
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine
CID 116802250
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804
N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
CID 114274287

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine (CID 116806261) is N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Oc2cnn(CCC)c2)n1.
What is the InChIKey of N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is HSHDJUVRQUHHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-6-19-9-10(8-15-19)21-13-17-11(14-3)16-12(18-13)20-7-5-2/h8-9H,4-7H2,1-3H3,(H,14,16,17,18).
What are the key properties of N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 116806261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).