1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one

C14H20N6O — CID 14950865

IUPAC1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(=O)CC2)n1
InChIInChI=1S/C14H20N6O/c1-3-7-15-12-17-13(16-8-4-2)19-14(18-12)20-9-5-11(21)6-10-20/h3-4H,1-2,5-10H2,(H2,15,16,17,18,19)
InChIKeyFSUMHMZGCTXKMH-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.24
Rot. Bonds7

About 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one

1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one (PubChem CID 14950865) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one
PubChem CID14950865
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(=O)CC2)n1
InChIInChI=1S/C14H20N6O/c1-3-7-15-12-17-13(16-8-4-2)19-14(18-12)20-9-5-11(21)6-10-20/h3-4H,1-2,5-10H2,(H2,15,16,17,18,19)
InChIKeyFSUMHMZGCTXKMH-UHFFFAOYSA-N
XLogP1.24
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one?
The IUPAC name of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one (CID 14950865) is 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one is C=CCNc1nc(NCC=C)nc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one?
The InChIKey is FSUMHMZGCTXKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-7-15-12-17-13(16-8-4-2)19-14(18-12)20-9-5-11(21)6-10-20/h3-4H,1-2,5-10H2,(H2,15,16,17,18,19).
What are the key properties of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one?
1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one has a molecular weight of 288.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-one is sourced from PubChem (CID 14950865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).