6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine

C16H21N5 — CID 53354728

IUPAC6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCC1(C)CCCN(c2nnc(N)nc2-c2ccccc2)C1
InChIInChI=1S/C16H21N5/c1-16(2)9-6-10-21(11-16)14-13(18-15(17)20-19-14)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyQRDFCTALHLWPRP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.75
Rot. Bonds2

About 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine

6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53354728) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53354728
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCC1(C)CCCN(c2nnc(N)nc2-c2ccccc2)C1
InChIInChI=1S/C16H21N5/c1-16(2)9-6-10-21(11-16)14-13(18-15(17)20-19-14)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyQRDFCTALHLWPRP-UHFFFAOYSA-N
XLogP2.75
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine (CID 53354728) is 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine is CC1(C)CCCN(c2nnc(N)nc2-c2ccccc2)C1.
What is the InChIKey of 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is QRDFCTALHLWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-16(2)9-6-10-21(11-16)14-13(18-15(17)20-19-14)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53354728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).