5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine

C13H20N6 — CID 105362496

IUPAC5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCc2nccn2C)nc1CC
InChIInChI=1S/C13H20N6/c1-4-10-11(5-2)17-18-13(16-10)15-7-6-12-14-8-9-19(12)3/h8-9H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyLUKBFPFJPVIVTJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.38
Rot. Bonds6

About 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362496) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362496
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCc2nccn2C)nc1CC
InChIInChI=1S/C13H20N6/c1-4-10-11(5-2)17-18-13(16-10)15-7-6-12-14-8-9-19(12)3/h8-9H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyLUKBFPFJPVIVTJ-UHFFFAOYSA-N
XLogP1.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527491
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
N-[2-(1-methylimidazol-2-yl)ethyl]-4-methylsulfanylaniline
CID 114527448
5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
CID 105362857

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine (CID 105362496) is 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCc2nccn2C)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is LUKBFPFJPVIVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-10-11(5-2)17-18-13(16-10)15-7-6-12-14-8-9-19(12)3/h8-9H,4-7H2,1-3H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).