2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine

C9H8ClN5O2 — CID 102606223

IUPAC2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine
SMILESClc1nc(OC2COC2)nc(-n2cccn2)n1
InChIInChI=1S/C9H8ClN5O2/c10-7-12-8(15-3-1-2-11-15)14-9(13-7)17-6-4-16-5-6/h1-3,6H,4-5H2
InChIKeyBWPHSLURVPRRLG-UHFFFAOYSA-N
MW253.65 g/mol
LogP0.49
Rot. Bonds3

About 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine

2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine (PubChem CID 102606223) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine
PubChem CID102606223
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine
SMILESClc1nc(OC2COC2)nc(-n2cccn2)n1
InChIInChI=1S/C9H8ClN5O2/c10-7-12-8(15-3-1-2-11-15)14-9(13-7)17-6-4-16-5-6/h1-3,6H,4-5H2
InChIKeyBWPHSLURVPRRLG-UHFFFAOYSA-N
XLogP0.49
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine (CID 102606223) is 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine is Clc1nc(OC2COC2)nc(-n2cccn2)n1.
What is the InChIKey of 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is BWPHSLURVPRRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c10-7-12-8(15-3-1-2-11-15)14-9(13-7)17-6-4-16-5-6/h1-3,6H,4-5H2.
What are the key properties of 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine?
2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine has a molecular weight of 253.65 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 102606223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).