ethane;4-ethyl-1-methyltriazole

C7H15N3 — CID 143593274

IUPACethane;4-ethyl-1-methyltriazole
SMILESCC.CCc1cn(C)nn1
InChIInChI=1S/C5H9N3.C2H6/c1-3-5-4-8(2)7-6-5;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyGPTABEBEPMIURH-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.40
Rot. Bonds1

About ethane;4-ethyl-1-methyltriazole

ethane;4-ethyl-1-methyltriazole (PubChem CID 143593274) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is ethane;4-ethyl-1-methyltriazole.

Molecular Properties

Compound Nameethane;4-ethyl-1-methyltriazole
PubChem CID143593274
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Nameethane;4-ethyl-1-methyltriazole
SMILESCC.CCc1cn(C)nn1
InChIInChI=1S/C5H9N3.C2H6/c1-3-5-4-8(2)7-6-5;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyGPTABEBEPMIURH-UHFFFAOYSA-N
XLogP1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-4-propyltriazole
CID 168923376
(1-methyltriazol-4-yl)methanol;tungsten
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bis(1,4-diethyltriazole);ethane
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4-(3-bromopropyl)-1-methyltriazole
CID 107053634
4-ethyl-1-(fluoromethyl)triazole
CID 89457557
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
CID 167563396
4-(isocyanomethyl)-1-methyltriazole
CID 83478632
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-methyltriazole?
The IUPAC name of ethane;4-ethyl-1-methyltriazole (CID 143593274) is ethane;4-ethyl-1-methyltriazole.
What is the SMILES notation for ethane;4-ethyl-1-methyltriazole?
The canonical SMILES for ethane;4-ethyl-1-methyltriazole is CC.CCc1cn(C)nn1.
What is the InChIKey of ethane;4-ethyl-1-methyltriazole?
The InChIKey is GPTABEBEPMIURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2H6/c1-3-5-4-8(2)7-6-5;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-methyltriazole?
ethane;4-ethyl-1-methyltriazole has a molecular weight of 141.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methyltriazole is sourced from PubChem (CID 143593274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).