[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide

C17H25N7 — CID 719064

IUPAC[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
SMILESC=CCN(C#N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H25N7/c1-2-9-24(14-18)17-20-15(22-10-5-3-6-11-22)19-16(21-17)23-12-7-4-8-13-23/h2H,1,3-13H2
InChIKeyDCSPGJZYSRVGGM-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.33
Rot. Bonds5

About [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide

[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide (PubChem CID 719064) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide.

Molecular Properties

Compound Name[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
PubChem CID719064
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
SMILESC=CCN(C#N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H25N7/c1-2-9-24(14-18)17-20-15(22-10-5-3-6-11-22)19-16(21-17)23-12-7-4-8-13-23/h2H,1,3-13H2
InChIKeyDCSPGJZYSRVGGM-UHFFFAOYSA-N
XLogP2.33
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
The IUPAC name of [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide (CID 719064) is [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide.
What is the SMILES notation for [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
The canonical SMILES for [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide is C=CCN(C#N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
The InChIKey is DCSPGJZYSRVGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-2-9-24(14-18)17-20-15(22-10-5-3-6-11-22)19-16(21-17)23-12-7-4-8-13-23/h2H,1,3-13H2.
What are the key properties of [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide has a molecular weight of 327.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide is sourced from PubChem (CID 719064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).