5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine

C14H17N5 — CID 67364048

IUPAC5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESNc1nnc(N2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C14H17N5/c15-14-16-12(11-7-3-1-4-8-11)13(17-18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,18)
InChIKeyKLRVLVDEWSDQFK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.11
Rot. Bonds2

About 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine

5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 67364048) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID67364048
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESNc1nnc(N2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C14H17N5/c15-14-16-12(11-7-3-1-4-8-11)13(17-18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,18)
InChIKeyKLRVLVDEWSDQFK-UHFFFAOYSA-N
XLogP2.11
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine (CID 67364048) is 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine is Nc1nnc(N2CCCCC2)c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is KLRVLVDEWSDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-14-16-12(11-7-3-1-4-8-11)13(17-18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,18).
What are the key properties of 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine?
5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 255.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 67364048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).