4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine

C14H10Cl2N4O — CID 4730486

IUPAC4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESClc1ccc(OCc2nc(-c3ccncc3)n[nH]2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-1-2-12(11(16)7-10)21-8-13-18-14(20-19-13)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19,20)
InChIKeyUPVCWQGKSQWILS-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.75
Rot. Bonds4

About 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine

4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 4730486) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID4730486
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESClc1ccc(OCc2nc(-c3ccncc3)n[nH]2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-1-2-12(11(16)7-10)21-8-13-18-14(20-19-13)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19,20)
InChIKeyUPVCWQGKSQWILS-UHFFFAOYSA-N
XLogP3.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine 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

4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 4730484
2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]aniline
CID 66487832
2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole
CID 14068301
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
CID 119070580
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
CID 162335175
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
N-[(2,4-dichlorophenyl)methoxy]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanimine
CID 3769643

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 4730486) is 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine is Clc1ccc(OCc2nc(-c3ccncc3)n[nH]2)c(Cl)c1.
What is the InChIKey of 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is UPVCWQGKSQWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-10-1-2-12(11(16)7-10)21-8-13-18-14(20-19-13)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19,20).
What are the key properties of 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 321.17 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 4730486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).