N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine

C13H16N4 — CID 6401387

IUPACN,N-diethyl-6-phenyl-1,2,4-triazin-5-amine
SMILESCCN(CC)c1ncnnc1-c1ccccc1
InChIInChI=1S/C13H16N4/c1-3-17(4-2)13-12(16-15-10-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyATYYMERBRVMLBB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.38
Rot. Bonds4

About N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine

N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine (PubChem CID 6401387) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,N-diethyl-6-phenyl-1,2,4-triazin-5-amine
PubChem CID6401387
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN,N-diethyl-6-phenyl-1,2,4-triazin-5-amine
SMILESCCN(CC)c1ncnnc1-c1ccccc1
InChIInChI=1S/C13H16N4/c1-3-17(4-2)13-12(16-15-10-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyATYYMERBRVMLBB-UHFFFAOYSA-N
XLogP2.38
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine (CID 6401387) is N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine is CCN(CC)c1ncnnc1-c1ccccc1.
What is the InChIKey of N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine?
The InChIKey is ATYYMERBRVMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-17(4-2)13-12(16-15-10-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine?
N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6401387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).