6-phenyl-5-piperidin-1-yl-1,2,4-triazine

C14H16N4 — CID 6401390

IUPAC6-phenyl-5-piperidin-1-yl-1,2,4-triazine
SMILESc1ccc(-c2nncnc2N2CCCCC2)cc1
InChIInChI=1S/C14H16N4/c1-3-7-12(8-4-1)13-14(15-11-16-17-13)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyBNAACYNZDAHOTK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.53
Rot. Bonds2

About 6-phenyl-5-piperidin-1-yl-1,2,4-triazine

6-phenyl-5-piperidin-1-yl-1,2,4-triazine (PubChem CID 6401390) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-phenyl-5-piperidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name6-phenyl-5-piperidin-1-yl-1,2,4-triazine
PubChem CID6401390
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6-phenyl-5-piperidin-1-yl-1,2,4-triazine
SMILESc1ccc(-c2nncnc2N2CCCCC2)cc1
InChIInChI=1S/C14H16N4/c1-3-7-12(8-4-1)13-14(15-11-16-17-13)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyBNAACYNZDAHOTK-UHFFFAOYSA-N
XLogP2.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
The IUPAC name of 6-phenyl-5-piperidin-1-yl-1,2,4-triazine (CID 6401390) is 6-phenyl-5-piperidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
The canonical SMILES for 6-phenyl-5-piperidin-1-yl-1,2,4-triazine is c1ccc(-c2nncnc2N2CCCCC2)cc1.
What is the InChIKey of 6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
The InChIKey is BNAACYNZDAHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-7-12(8-4-1)13-14(15-11-16-17-13)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
6-phenyl-5-piperidin-1-yl-1,2,4-triazine has a molecular weight of 240.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-piperidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 6401390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).