1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone

C7H8N6O2 — CID 538912

IUPAC1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone
SMILESCC(=O)c1nnn(-c2nonc2N)c1C
InChIInChI=1S/C7H8N6O2/c1-3-5(4(2)14)9-12-13(3)7-6(8)10-15-11-7/h1-2H3,(H2,8,10)
InChIKeyINMLIYBPSFHPNL-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.26
Rot. Bonds2

About 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone

1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone (PubChem CID 538912) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone
PubChem CID538912
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone
SMILESCC(=O)c1nnn(-c2nonc2N)c1C
InChIInChI=1S/C7H8N6O2/c1-3-5(4(2)14)9-12-13(3)7-6(8)10-15-11-7/h1-2H3,(H2,8,10)
InChIKeyINMLIYBPSFHPNL-UHFFFAOYSA-N
XLogP-0.26
TPSA112.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazol-4-yl]ethanone
CID 539723
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-(4-methylpentan-2-ylideneamino)triazole-4-carboxamide
CID 3663367
4-[(Z)-N-[(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136861420
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 2261119
N-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]pyridine-3-carboxamide
CID 4672585
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1035454
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 5435316
ethyl 1-(4-acetamido-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carboxylate
CID 697841
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide
CID 1201476
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-tert-butyltriazole-4-carboxylate
CID 672888
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-methyltriazole-4-carboxamide
CID 135684040
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethylpiperazin-1-yl)methyl]triazole-4-carboxylic acid
CID 22333249

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone?
The IUPAC name of 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone (CID 538912) is 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone is CC(=O)c1nnn(-c2nonc2N)c1C.
What is the InChIKey of 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone?
The InChIKey is INMLIYBPSFHPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-3-5(4(2)14)9-12-13(3)7-6(8)10-15-11-7/h1-2H3,(H2,8,10).
What are the key properties of 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone?
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone has a molecular weight of 208.18 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethanone is sourced from PubChem (CID 538912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).