5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole

C15H17Cl2N3O2 — CID 10736044

IUPAC5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CCCC1(c2ccc(Cl)cc2Cl)OCCO1
InChIInChI=1S/C15H17Cl2N3O2/c1-20-14(18-10-19-20)3-2-6-15(21-7-8-22-15)12-5-4-11(16)9-13(12)17/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyAOJKRMFPVZGFIV-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.34
Rot. Bonds5

About 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole

5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole (PubChem CID 10736044) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole
PubChem CID10736044
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CCCC1(c2ccc(Cl)cc2Cl)OCCO1
InChIInChI=1S/C15H17Cl2N3O2/c1-20-14(18-10-19-20)3-2-6-15(21-7-8-22-15)12-5-4-11(16)9-13(12)17/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyAOJKRMFPVZGFIV-UHFFFAOYSA-N
XLogP3.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(2S,4S)-2-(2,4-dichlorophenyl)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole
CID 10718872
1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
CID 70424591
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
2-[tert-butyl(dimethyl)silyl]-5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N-dimethylimidazole-1-sulfonamide
CID 10674178
2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
CID 83957869
1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;sulfuric acid
CID 70607270
[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol
CID 10833202
5-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1H-1,2,4-triazole
CID 70151004
4-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79528483
3-chloro-4-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 79831912
1-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]propan-1-ol
CID 165365570
2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine
CID 86120091

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole (CID 10736044) is 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole is Cn1ncnc1CCCC1(c2ccc(Cl)cc2Cl)OCCO1.
What is the InChIKey of 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole?
The InChIKey is AOJKRMFPVZGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-20-14(18-10-19-20)3-2-6-15(21-7-8-22-15)12-5-4-11(16)9-13(12)17/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole?
5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole has a molecular weight of 342.23 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 10736044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).