bis(1,4-diethyltriazole);ethane

C24H58N6 — CID 160569546

IUPACbis(1,4-diethyltriazole);ethane
SMILESCC.CC.CC.CC.CC.CC.CCc1cn(CC)nn1.CCc1cn(CC)nn1
InChIInChI=1S/2C6H11N3.6C2H6/c2*1-3-6-5-9(4-2)8-7-6;6*1-2/h2*5H,3-4H2,1-2H3;6*1-2H3
InChIKeyRAJCZUQYXHBHER-UHFFFAOYSA-N
MW430.77 g/mol
LogP7.88
Rot. Bonds4

About bis(1,4-diethyltriazole);ethane

bis(1,4-diethyltriazole);ethane (PubChem CID 160569546) has the molecular formula C24H58N6 and a molecular weight of 430.77 g/mol. Its IUPAC name is bis(1,4-diethyltriazole);ethane.

Molecular Properties

Compound Namebis(1,4-diethyltriazole);ethane
PubChem CID160569546
Molecular FormulaC24H58N6
Molecular Weight430.77 g/mol
Exact Mass430.47
IUPAC Namebis(1,4-diethyltriazole);ethane
SMILESCC.CC.CC.CC.CC.CC.CCc1cn(CC)nn1.CCc1cn(CC)nn1
InChIInChI=1S/2C6H11N3.6C2H6/c2*1-3-6-5-9(4-2)8-7-6;6*1-2/h2*5H,3-4H2,1-2H3;6*1-2H3
InChIKeyRAJCZUQYXHBHER-UHFFFAOYSA-N
XLogP7.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.77
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-1-ethyltriazole
CID 62400485
4-ethyl-1-(fluoromethyl)triazole
CID 89457557
bis(1,4-diethyltriazole);1,5-diethyltriazole
CID 160908839
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
ethane;4-ethyl-1-methyltriazole
CID 143593274
2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
CID 84789431
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
CID 84765468
N,N-bis[(1-ethyltriazol-4-yl)methyl]prop-2-yn-1-amine
CID 122233400

Frequently Asked Questions

What is the IUPAC name of bis(1,4-diethyltriazole);ethane?
The IUPAC name of bis(1,4-diethyltriazole);ethane (CID 160569546) is bis(1,4-diethyltriazole);ethane.
What is the SMILES notation for bis(1,4-diethyltriazole);ethane?
The canonical SMILES for bis(1,4-diethyltriazole);ethane is CC.CC.CC.CC.CC.CC.CCc1cn(CC)nn1.CCc1cn(CC)nn1.
What is the InChIKey of bis(1,4-diethyltriazole);ethane?
The InChIKey is RAJCZUQYXHBHER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11N3.6C2H6/c2*1-3-6-5-9(4-2)8-7-6;6*1-2/h2*5H,3-4H2,1-2H3;6*1-2H3.
What are the key properties of bis(1,4-diethyltriazole);ethane?
bis(1,4-diethyltriazole);ethane has a molecular weight of 430.77 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-diethyltriazole);ethane is sourced from PubChem (CID 160569546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).