3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine

C11H17ClN4 — CID 115000548

IUPAC3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine
SMILESCCCC1CCN(c2cnnc(Cl)n2)CC1
InChIInChI=1S/C11H17ClN4/c1-2-3-9-4-6-16(7-5-9)10-8-13-15-11(12)14-10/h8-9H,2-7H2,1H3
InChIKeyVGTVCUKTYPIYHE-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.54
Rot. Bonds3

About 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine

3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 115000548) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine
PubChem CID115000548
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine
SMILESCCCC1CCN(c2cnnc(Cl)n2)CC1
InChIInChI=1S/C11H17ClN4/c1-2-3-9-4-6-16(7-5-9)10-8-13-15-11(12)14-10/h8-9H,2-7H2,1H3
InChIKeyVGTVCUKTYPIYHE-UHFFFAOYSA-N
XLogP2.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine (CID 115000548) is 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine is CCCC1CCN(c2cnnc(Cl)n2)CC1.
What is the InChIKey of 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is VGTVCUKTYPIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-3-9-4-6-16(7-5-9)10-8-13-15-11(12)14-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine?
3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 240.74 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 115000548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).