bis(1,4-diethyltriazole);1,5-diethyltriazole

C18H33N9 — CID 160908839

IUPACbis(1,4-diethyltriazole);1,5-diethyltriazole
SMILESCCc1cn(CC)nn1.CCc1cn(CC)nn1.CCc1cnnn1CC
InChIInChI=1S/3C6H11N3/c2*1-3-6-5-9(4-2)8-7-6;1-3-6-5-7-8-9(6)4-2/h3*5H,3-4H2,1-2H3
InChIKeySQMSMWFNKXUEOE-UHFFFAOYSA-N
MW375.53 g/mol
LogP2.58
Rot. Bonds6

About bis(1,4-diethyltriazole);1,5-diethyltriazole

bis(1,4-diethyltriazole);1,5-diethyltriazole (PubChem CID 160908839) has the molecular formula C18H33N9 and a molecular weight of 375.53 g/mol. Its IUPAC name is bis(1,4-diethyltriazole);1,5-diethyltriazole.

Molecular Properties

Compound Namebis(1,4-diethyltriazole);1,5-diethyltriazole
PubChem CID160908839
Molecular FormulaC18H33N9
Molecular Weight375.53 g/mol
Exact Mass375.29
IUPAC Namebis(1,4-diethyltriazole);1,5-diethyltriazole
SMILESCCc1cn(CC)nn1.CCc1cn(CC)nn1.CCc1cnnn1CC
InChIInChI=1S/3C6H11N3/c2*1-3-6-5-9(4-2)8-7-6;1-3-6-5-7-8-9(6)4-2/h3*5H,3-4H2,1-2H3
InChIKeySQMSMWFNKXUEOE-UHFFFAOYSA-N
XLogP2.58
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

bis(1,4-diethyltriazole);ethane
CID 160569546
4-ethyl-1-(fluoromethyl)triazole
CID 89457557
4-(bromomethyl)-1-ethyltriazole
CID 62400485
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
CID 84789431
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
CID 84765468
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
1-ethyl-4-methyltriazole
CID 58612101

Frequently Asked Questions

What is the IUPAC name of bis(1,4-diethyltriazole);1,5-diethyltriazole?
The IUPAC name of bis(1,4-diethyltriazole);1,5-diethyltriazole (CID 160908839) is bis(1,4-diethyltriazole);1,5-diethyltriazole.
What is the SMILES notation for bis(1,4-diethyltriazole);1,5-diethyltriazole?
The canonical SMILES for bis(1,4-diethyltriazole);1,5-diethyltriazole is CCc1cn(CC)nn1.CCc1cn(CC)nn1.CCc1cnnn1CC.
What is the InChIKey of bis(1,4-diethyltriazole);1,5-diethyltriazole?
The InChIKey is SQMSMWFNKXUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11N3/c2*1-3-6-5-9(4-2)8-7-6;1-3-6-5-7-8-9(6)4-2/h3*5H,3-4H2,1-2H3.
What are the key properties of bis(1,4-diethyltriazole);1,5-diethyltriazole?
bis(1,4-diethyltriazole);1,5-diethyltriazole has a molecular weight of 375.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-diethyltriazole);1,5-diethyltriazole is sourced from PubChem (CID 160908839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).