N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide

C8H14N4O — CID 118975386

IUPACN-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
SMILESCCc1cn(CCNC(C)=O)nn1
InChIInChI=1S/C8H14N4O/c1-3-8-6-12(11-10-8)5-4-9-7(2)13/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyFQQRHMQSTXPMKQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.02
Rot. Bonds4

About N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide

N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide (PubChem CID 118975386) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
PubChem CID118975386
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
SMILESCCc1cn(CCNC(C)=O)nn1
InChIInChI=1S/C8H14N4O/c1-3-8-6-12(11-10-8)5-4-9-7(2)13/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyFQQRHMQSTXPMKQ-UHFFFAOYSA-N
XLogP-0.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
CID 170201876
2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid
CID 155400255
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one
CID 167077241
ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
CID 153389003
N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
CID 162765450
3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 146611459
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
bis(1,4-diethyltriazole);ethane
CID 160569546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide (CID 118975386) is N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide is CCc1cn(CCNC(C)=O)nn1.
What is the InChIKey of N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide?
The InChIKey is FQQRHMQSTXPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-8-6-12(11-10-8)5-4-9-7(2)13/h6H,3-5H2,1-2H3,(H,9,13).
What are the key properties of N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide?
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 118975386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).