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

C13H17ClN6 — CID 62862834

IUPAC2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESCCC1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H17ClN6/c1-2-10-5-3-7-19(9-10)12-16-11(14)17-13(18-12)20-8-4-6-15-20/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyWUCLJAJCRSZHGV-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.34
Rot. Bonds3

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

2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine (PubChem CID 62862834) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
PubChem CID62862834
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESCCC1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H17ClN6/c1-2-10-5-3-7-19(9-10)12-16-11(14)17-13(18-12)20-8-4-6-15-20/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyWUCLJAJCRSZHGV-UHFFFAOYSA-N
XLogP2.34
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine (CID 62862834) is 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine is CCC1CCCN(c2nc(Cl)nc(-n3cccn3)n2)C1.
What is the InChIKey of 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is WUCLJAJCRSZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-2-10-5-3-7-19(9-10)12-16-11(14)17-13(18-12)20-8-4-6-15-20/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine has a molecular weight of 292.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62862834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).