2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine

C9H9Cl2N5O — CID 116801169

IUPAC2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
SMILESCC(C)n1cc(Oc2nc(Cl)nc(Cl)n2)cn1
InChIInChI=1S/C9H9Cl2N5O/c1-5(2)16-4-6(3-12-16)17-9-14-7(10)13-8(11)15-9/h3-5H,1-2H3
InChIKeyFWNJHZVEEISOGR-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.75
Rot. Bonds3

About 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine

2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine (PubChem CID 116801169) has the molecular formula C9H9Cl2N5O and a molecular weight of 274.11 g/mol. Its IUPAC name is 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
PubChem CID116801169
Molecular FormulaC9H9Cl2N5O
Molecular Weight274.11 g/mol
Exact Mass273.02
IUPAC Name2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
SMILESCC(C)n1cc(Oc2nc(Cl)nc(Cl)n2)cn1
InChIInChI=1S/C9H9Cl2N5O/c1-5(2)16-4-6(3-12-16)17-9-14-7(10)13-8(11)15-9/h3-5H,1-2H3
InChIKeyFWNJHZVEEISOGR-UHFFFAOYSA-N
XLogP2.75
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116801128
2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde
CID 116801891
3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
CID 116801122
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
3,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)oxypyridazine
CID 116801133
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125
4-[2-(bromomethyl)-6-chlorophenoxy]-1-propan-2-ylpyrazole
CID 114068060
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde
CID 116801890
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
CID 116801270
[2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazol-4-yl]methanamine
CID 116803107

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine (CID 116801169) is 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine is CC(C)n1cc(Oc2nc(Cl)nc(Cl)n2)cn1.
What is the InChIKey of 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine?
The InChIKey is FWNJHZVEEISOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5O/c1-5(2)16-4-6(3-12-16)17-9-14-7(10)13-8(11)15-9/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine?
2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine has a molecular weight of 274.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine is sourced from PubChem (CID 116801169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).