5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine

C20H17N5O — CID 10337498

IUPAC5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine
SMILESCn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3
InChIKeyPXCVVFWVLHUINV-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds5

About 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine

5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine (PubChem CID 10337498) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine.

Molecular Properties

Compound Name5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine
PubChem CID10337498
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine
SMILESCn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3
InChIKeyPXCVVFWVLHUINV-UHFFFAOYSA-N
XLogP3.52
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine?
The IUPAC name of 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine (CID 10337498) is 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine.
What is the SMILES notation for 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine?
The canonical SMILES for 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine is Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1.
What is the InChIKey of 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine?
The InChIKey is PXCVVFWVLHUINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3.
What are the key properties of 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine?
5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine has a molecular weight of 343.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-3-phenylpyridazine is sourced from PubChem (CID 10337498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).