1-[1-(2-aminoethyl)triazol-4-yl]ethanone

C6H10N4O — CID 116583007

IUPAC1-[1-(2-aminoethyl)triazol-4-yl]ethanone
SMILESCC(=O)c1cn(CCN)nn1
InChIInChI=1S/C6H10N4O/c1-5(11)6-4-10(3-2-7)9-8-6/h4H,2-3,7H2,1H3
InChIKeyIFCVSYMODGFUDO-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.56
Rot. Bonds3

About 1-[1-(2-aminoethyl)triazol-4-yl]ethanone

1-[1-(2-aminoethyl)triazol-4-yl]ethanone (PubChem CID 116583007) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)triazol-4-yl]ethanone
PubChem CID116583007
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-[1-(2-aminoethyl)triazol-4-yl]ethanone
SMILESCC(=O)c1cn(CCN)nn1
InChIInChI=1S/C6H10N4O/c1-5(11)6-4-10(3-2-7)9-8-6/h4H,2-3,7H2,1H3
InChIKeyIFCVSYMODGFUDO-UHFFFAOYSA-N
XLogP-0.56
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one
CID 10725346
1-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-one
CID 14914702
Ethanone, 1-[1-(1-methylethyl)-1H-1,2,3-triazol-4-yl]-
CID 14914703
1-(1-propyl-1H-1,2,3-triazol-4-yl)ethan-1-one
CID 89778081
1-(1-Methyl-1H-1,2,3-triazol-5-yl)ethanone
CID 10796745
1-[1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
CID 72218174
2-chloro-1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one
CID 122163524
2-Fluoro-1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-one
CID 137963961
1-[1-(2-aminoethyl)-1H-1,2,3-triazol-4-yl]ethan-1-one hydrochloride
CID 165884943
1-(1-(tert-Butyl)-1H-1,2,3-triazol-4-yl)ethanone
CID 13399239
1-[1-[4-(4-Acetyltriazol-1-yl)-3-fluorobutyl]triazol-4-yl]ethanone
CID 144992875
1-(1-Cyclohexyl-1H-1,2,3-triazol-4-yl)ethan-1-one
CID 86085607

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)triazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2-aminoethyl)triazol-4-yl]ethanone (CID 116583007) is 1-[1-(2-aminoethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-aminoethyl)triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-aminoethyl)triazol-4-yl]ethanone is CC(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-[1-(2-aminoethyl)triazol-4-yl]ethanone?
The InChIKey is IFCVSYMODGFUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(11)6-4-10(3-2-7)9-8-6/h4H,2-3,7H2,1H3.
What are the key properties of 1-[1-(2-aminoethyl)triazol-4-yl]ethanone?
1-[1-(2-aminoethyl)triazol-4-yl]ethanone has a molecular weight of 154.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 116583007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).