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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Related Compounds

5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
CID 67364048
4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
CID 6405046
3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 45035403
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
8-ethyl-7-phenyl-1,4-di(piperidin-1-yl)pyrido[3,4-d]pyridazine
CID 21451309
4-(azepan-1-yl)quinazoline
CID 5207391
3-chloro-5-phenyl-2-piperidin-1-ylpyridine
CID 156810422
7-phenyl-4-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
CID 101480640
5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
CID 59517761
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
CID 86717337

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).