N-ethyl-2-(1,2,4-triazol-1-yl)acetamide

C6H10N4O — CID 60644414

IUPACN-ethyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCNC(=O)Cn1cncn1
InChIInChI=1S/C6H10N4O/c1-2-8-6(11)3-10-5-7-4-9-10/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyPYTSLYOAVZHFCP-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.59
Rot. Bonds3

About N-ethyl-2-(1,2,4-triazol-1-yl)acetamide

N-ethyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 60644414) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-ethyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID60644414
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-ethyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCNC(=O)Cn1cncn1
InChIInChI=1S/C6H10N4O/c1-2-8-6(11)3-10-5-7-4-9-10/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyPYTSLYOAVZHFCP-UHFFFAOYSA-N
XLogP-0.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3104818
2-(3-Nitro-[1,2,4]triazol-1-yl)-N-propyl-acetamide
CID 3104817
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
2-(4-ethylpiperazin-1-yl)-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]acetamide
CID 91788532
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-(1H-1,2,4-triazol-1-yl)propanamide
CID 2768672
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 53504985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(1,2,4-triazol-1-yl)acetamide (CID 60644414) is N-ethyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1,2,4-triazol-1-yl)acetamide is CCNC(=O)Cn1cncn1.
What is the InChIKey of N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PYTSLYOAVZHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-8-6(11)3-10-5-7-4-9-10/h4-5H,2-3H2,1H3,(H,8,11).
What are the key properties of N-ethyl-2-(1,2,4-triazol-1-yl)acetamide?
N-ethyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 154.17 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 60644414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).