methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate

C11H9N7O3 — CID 4778086

IUPACmethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate
SMILESCOC(=O)c1nnn(-c2nonc2N)c1-c1ccncc1
InChIInChI=1S/C11H9N7O3/c1-20-11(19)7-8(6-2-4-13-5-3-6)18(17-14-7)10-9(12)15-21-16-10/h2-5H,1H3,(H2,12,15)
InChIKeyZJADULUSEREGAR-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.08
Rot. Bonds3

About methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate (PubChem CID 4778086) has the molecular formula C11H9N7O3 and a molecular weight of 287.24 g/mol. Its IUPAC name is methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate
PubChem CID4778086
Molecular FormulaC11H9N7O3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Namemethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate
SMILESCOC(=O)c1nnn(-c2nonc2N)c1-c1ccncc1
InChIInChI=1S/C11H9N7O3/c1-20-11(19)7-8(6-2-4-13-5-3-6)18(17-14-7)10-9(12)15-21-16-10/h2-5H,1H3,(H2,12,15)
InChIKeyZJADULUSEREGAR-UHFFFAOYSA-N
XLogP0.08
TPSA134.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate 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

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-naphthalen-2-yltriazole-4-carboxylate
CID 17085444
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(5-bromothiophen-2-yl)triazole-4-carboxylate
CID 17085449
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carboxylate
CID 1263575
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-phenyltriazole-4-carboxylic acid
CID 685156
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)-5-(4-propoxyphenyl)-N-(1-pyridin-4-ylethylideneamino)triazole-4-carboxamide
CID 3723059
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
CID 6869709
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)triazole-4-carboxylate
CID 17085459
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N-(propan-2-ylideneamino)triazole-4-carboxamide
CID 867443
methyl 1-(2-methoxyethyl)-5-pyridin-4-yltriazole-4-carboxylate
CID 103105532
methyl 1-pentan-2-yl-5-pyridin-4-yltriazole-4-carboxylate
CID 107886149

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate?
The IUPAC name of methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate (CID 4778086) is methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate?
The canonical SMILES for methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate is COC(=O)c1nnn(-c2nonc2N)c1-c1ccncc1.
What is the InChIKey of methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate?
The InChIKey is ZJADULUSEREGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O3/c1-20-11(19)7-8(6-2-4-13-5-3-6)18(17-14-7)10-9(12)15-21-16-10/h2-5H,1H3,(H2,12,15).
What are the key properties of methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate?
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate has a molecular weight of 287.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-pyridin-4-yltriazole-4-carboxylate is sourced from PubChem (CID 4778086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).