3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide

C13H10Cl2N8O2 — CID 4695559

IUPAC3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
SMILESCc1nnn(-c2nonc2N)c1C(=O)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N8O2/c1-6-10(23(22-18-6)12-11(16)20-25-21-12)13(24)19-17-5-7-2-3-8(14)9(15)4-7/h2-5H,1H3,(H2,16,20)(H,19,24)
InChIKeyRKPDOYDDKNKTOZ-UHFFFAOYSA-N
MW381.18 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide

3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide (PubChem CID 4695559) has the molecular formula C13H10Cl2N8O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
PubChem CID4695559
Molecular FormulaC13H10Cl2N8O2
Molecular Weight381.18 g/mol
Exact Mass380.03
IUPAC Name3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
SMILESCc1nnn(-c2nonc2N)c1C(=O)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N8O2/c1-6-10(23(22-18-6)12-11(16)20-25-21-12)13(24)19-17-5-7-2-3-8(14)9(15)4-7/h2-5H,1H3,(H2,16,20)(H,19,24)
InChIKeyRKPDOYDDKNKTOZ-UHFFFAOYSA-N
XLogP1.61
TPSA137.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide 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

3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-methyltriazole-4-carboxamide
CID 3860363
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-5-methyltriazole-4-carboxamide
CID 6074690
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 3373013
[4-[(E)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] adamantane-2-carboxylate
CID 45053853
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 136695485
[4-[[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methyl-3-nitrobenzoate
CID 3740998
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-iodophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1248725
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 2261119
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 4990108
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(E)-(4-methylphenyl)methylideneamino]triazole-4-carboxamide;hydrochloride
CID 45053862
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide?
The IUPAC name of 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide (CID 4695559) is 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide is Cc1nnn(-c2nonc2N)c1C(=O)NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide?
The InChIKey is RKPDOYDDKNKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N8O2/c1-6-10(23(22-18-6)12-11(16)20-25-21-12)13(24)19-17-5-7-2-3-8(14)9(15)4-7/h2-5H,1H3,(H2,16,20)(H,19,24).
What are the key properties of 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide?
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide has a molecular weight of 381.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3,4-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 4695559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).