7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H12Cl2N4O — CID 1477544

IUPAC7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(COc2cccc(-c3ccnc4ncnn34)c2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N4O/c19-14-5-4-13(16(20)9-14)10-25-15-3-1-2-12(8-15)17-6-7-21-18-22-11-23-24(17)18/h1-9,11H,10H2
InChIKeyYVTWNTODZMESCE-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.68
Rot. Bonds4

About 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1477544) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1477544
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(COc2cccc(-c3ccnc4ncnn34)c2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N4O/c19-14-5-4-13(16(20)9-14)10-25-15-3-1-2-12(8-15)17-6-7-21-18-22-11-23-24(17)18/h1-9,11H,10H2
InChIKeyYVTWNTODZMESCE-UHFFFAOYSA-N
XLogP4.68
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine 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

5-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazole-2-thione
CID 1479891
3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
CID 5112496
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
7-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 11209321
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
2-amino-4-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406404
ethyl 5-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400398
5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine
CID 151637109
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066676
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1477544) is 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccc(COc2cccc(-c3ccnc4ncnn34)c2)c(Cl)c1.
What is the InChIKey of 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YVTWNTODZMESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-14-5-4-13(16(20)9-14)10-25-15-3-1-2-12(8-15)17-6-7-21-18-22-11-23-24(17)18/h1-9,11H,10H2.
What are the key properties of 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 371.23 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1477544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).