5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine

C15H22N4S — CID 105362540

IUPAC5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
SMILESCCCC(Nc1nnc(CC)c(CC)n1)c1cccs1
InChIInChI=1S/C15H22N4S/c1-4-8-13(14-9-7-10-20-14)17-15-16-11(5-2)12(6-3)18-19-15/h7,9-10,13H,4-6,8H2,1-3H3,(H,16,17,19)
InChIKeyAQUGWDNUUBSMNV-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.01
Rot. Bonds7

About 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine (PubChem CID 105362540) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
PubChem CID105362540
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
SMILESCCCC(Nc1nnc(CC)c(CC)n1)c1cccs1
InChIInChI=1S/C15H22N4S/c1-4-8-13(14-9-7-10-20-14)17-15-16-11(5-2)12(6-3)18-19-15/h7,9-10,13H,4-6,8H2,1-3H3,(H,16,17,19)
InChIKeyAQUGWDNUUBSMNV-UHFFFAOYSA-N
XLogP4.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362410
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
CID 66014606
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
4-methyl-1-propyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565322

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine (CID 105362540) is 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine is CCCC(Nc1nnc(CC)c(CC)n1)c1cccs1.
What is the InChIKey of 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine?
The InChIKey is AQUGWDNUUBSMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-8-13(14-9-7-10-20-14)17-15-16-11(5-2)12(6-3)18-19-15/h7,9-10,13H,4-6,8H2,1-3H3,(H,16,17,19).
What are the key properties of 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine has a molecular weight of 290.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).