5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

C15H11N7O — CID 155960569

IUPAC5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-n2ncc(Cc3nc(-c4cccnn4)no3)n2)cc1
InChIInChI=1S/C15H11N7O/c1-2-5-12(6-3-1)22-17-10-11(20-22)9-14-18-15(21-23-14)13-7-4-8-16-19-13/h1-8,10H,9H2
InChIKeyPHTUWKYNLYKXNC-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.70
Rot. Bonds4

About 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 155960569) has the molecular formula C15H11N7O and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID155960569
Molecular FormulaC15H11N7O
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-n2ncc(Cc3nc(-c4cccnn4)no3)n2)cc1
InChIInChI=1S/C15H11N7O/c1-2-5-12(6-3-1)22-17-10-11(20-22)9-14-18-15(21-23-14)13-7-4-8-16-19-13/h1-8,10H,9H2
InChIKeyPHTUWKYNLYKXNC-UHFFFAOYSA-N
XLogP1.70
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole 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-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole
CID 155951237
N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 72940116
N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113354522
5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97279950
2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
CID 71800611
5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72925505
5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97117552
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
(3R)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95600043
1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
CID 119904272
3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 75370384
4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 72928960

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 155960569) is 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is c1ccc(-n2ncc(Cc3nc(-c4cccnn4)no3)n2)cc1.
What is the InChIKey of 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is PHTUWKYNLYKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O/c1-2-5-12(6-3-1)22-17-10-11(20-22)9-14-18-15(21-23-14)13-7-4-8-16-19-13/h1-8,10H,9H2.
What are the key properties of 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 305.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 155960569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).