3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine

C15H19N5 — CID 46889616

IUPAC3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
SMILESc1ccc(-c2ncc(NCN3CCCCC3)nn2)cc1
InChIInChI=1S/C15H19N5/c1-3-7-13(8-4-1)15-16-11-14(18-19-15)17-12-20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,17,18)
InChIKeyIXGBMUJQBLSNBY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.39
Rot. Bonds4

About 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine

3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine (PubChem CID 46889616) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine.

Molecular Properties

Compound Name3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
PubChem CID46889616
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
SMILESc1ccc(-c2ncc(NCN3CCCCC3)nn2)cc1
InChIInChI=1S/C15H19N5/c1-3-7-13(8-4-1)15-16-11-14(18-19-15)17-12-20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,17,18)
InChIKeyIXGBMUJQBLSNBY-UHFFFAOYSA-N
XLogP2.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine?
The IUPAC name of 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine (CID 46889616) is 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine.
What is the SMILES notation for 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine?
The canonical SMILES for 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine is c1ccc(-c2ncc(NCN3CCCCC3)nn2)cc1.
What is the InChIKey of 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine?
The InChIKey is IXGBMUJQBLSNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-7-13(8-4-1)15-16-11-14(18-19-15)17-12-20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,17,18).
What are the key properties of 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine?
3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine has a molecular weight of 269.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine is sourced from PubChem (CID 46889616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).