5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine

C13H20N6 — CID 105362857

IUPAC5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCc2ncc[nH]2)nc1CC
InChIInChI=1S/C13H20N6/c1-3-10-11(4-2)18-19-13(17-10)16-7-5-6-12-14-8-9-15-12/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17,19)
InChIKeyOTVYCIIZMMEGMH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds7

About 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine (PubChem CID 105362857) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
PubChem CID105362857
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCc2ncc[nH]2)nc1CC
InChIInChI=1S/C13H20N6/c1-3-10-11(4-2)18-19-13(17-10)16-7-5-6-12-14-8-9-15-12/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17,19)
InChIKeyOTVYCIIZMMEGMH-UHFFFAOYSA-N
XLogP1.76
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
CID 105362674
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
2-butyl-1H-imidazole;hydrochloride
CID 141134528
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 105362808
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
2-butyl-1H-imidazole;cyclohexane
CID 173413359
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
2-octadecyl-1H-imidazole
CID 54221067

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine (CID 105362857) is 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCCc2ncc[nH]2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine?
The InChIKey is OTVYCIIZMMEGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-10-11(4-2)18-19-13(17-10)16-7-5-6-12-14-8-9-15-12/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17,19).
What are the key properties of 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).