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

C10H14N6O2 — CID 116794366

IUPAC4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Oc2cnn(C)c2)n1
InChIInChI=1S/C10H14N6O2/c1-4-17-9-13-8(11-2)14-10(15-9)18-7-5-12-16(3)6-7/h5-6H,4H2,1-3H3,(H,11,13,14,15)
InChIKeyDBACCFCNCUYPNB-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.84
Rot. Bonds5

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

4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 116794366) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
PubChem CID116794366
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Oc2cnn(C)c2)n1
InChIInChI=1S/C10H14N6O2/c1-4-17-9-13-8(11-2)14-10(15-9)18-7-5-12-16(3)6-7/h5-6H,4H2,1-3H3,(H,11,13,14,15)
InChIKeyDBACCFCNCUYPNB-UHFFFAOYSA-N
XLogP0.84
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381
2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
CID 80865498
2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 116794456
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
N-methyl-4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566614
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
4-ethoxy-N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
CID 81342173
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 116806821

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine (CID 116794366) is 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(Oc2cnn(C)c2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is DBACCFCNCUYPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-4-17-9-13-8(11-2)14-10(15-9)18-7-5-12-16(3)6-7/h5-6H,4H2,1-3H3,(H,11,13,14,15).
What are the key properties of 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 250.26 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 116794366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).