N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine

C16H23N5 — CID 19787769

IUPACN-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine
SMILESC1CCNCC1.CCNc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C11H12N4.C5H11N/c1-2-12-10-8-13-15-11(14-10)9-6-4-3-5-7-9;1-2-4-6-5-3-1/h3-8H,2H2,1H3,(H,12,14,15);6H,1-5H2
InChIKeyMEQQWDJQLYLSFE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds3

About N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine

N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine (PubChem CID 19787769) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine
PubChem CID19787769
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine
SMILESC1CCNCC1.CCNc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C11H12N4.C5H11N/c1-2-12-10-8-13-15-11(14-10)9-6-4-3-5-7-9;1-2-4-6-5-3-1/h3-8H,2H2,1H3,(H,12,14,15);6H,1-5H2
InChIKeyMEQQWDJQLYLSFE-UHFFFAOYSA-N
XLogP2.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine?
The IUPAC name of N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine (CID 19787769) is N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine.
What is the SMILES notation for N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine?
The canonical SMILES for N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine is C1CCNCC1.CCNc1cnnc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine?
The InChIKey is MEQQWDJQLYLSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.C5H11N/c1-2-12-10-8-13-15-11(14-10)9-6-4-3-5-7-9;1-2-4-6-5-3-1/h3-8H,2H2,1H3,(H,12,14,15);6H,1-5H2.
What are the key properties of N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine?
N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine has a molecular weight of 285.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine is sourced from PubChem (CID 19787769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).