6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one

C14H17N5O — CID 135473408

IUPAC6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCCCC2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C14H17N5O/c20-14-17-12(15-11-7-3-1-4-8-11)16-13(18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,17,18,20)
InChIKeyOUULHWZBIJLBMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.90
Rot. Bonds3

About 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one

6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one (PubChem CID 135473408) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one
PubChem CID135473408
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCCCC2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C14H17N5O/c20-14-17-12(15-11-7-3-1-4-8-11)16-13(18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,17,18,20)
InChIKeyOUULHWZBIJLBMJ-UHFFFAOYSA-N
XLogP1.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one (CID 135473408) is 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one is O=c1nc(N2CCCCC2)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one?
The InChIKey is OUULHWZBIJLBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14-17-12(15-11-7-3-1-4-8-11)16-13(18-14)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10H2,(H2,15,16,17,18,20).
What are the key properties of 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one?
6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-piperidin-1-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135473408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).