1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole

C13H13Cl2N3O2 — CID 70424591

IUPAC1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
SMILESClc1ccc(C2(CCn3cncn3)OCCO2)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2/c14-10-1-2-11(12(15)7-10)13(19-5-6-20-13)3-4-18-9-16-8-17-18/h1-2,7-9H,3-6H2
InChIKeyPLMBMEXGGQWUDS-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole

1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole (PubChem CID 70424591) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
PubChem CID70424591
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
SMILESClc1ccc(C2(CCn3cncn3)OCCO2)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2/c14-10-1-2-11(12(15)7-10)13(19-5-6-20-13)3-4-18-9-16-8-17-18/h1-2,7-9H,3-6H2
InChIKeyPLMBMEXGGQWUDS-UHFFFAOYSA-N
XLogP2.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;sulfuric acid
CID 70607270
5-[3-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole
CID 10736044
1-[[2-(2,4-dichlorophenyl)-4-prop-1-en-2-yl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 123238324
1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 679165
1-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]propan-1-ol
CID 165365570
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 736787
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 736786
1-[[2-[2-chloro-4-(4-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 167030933
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
1-[[2-(2,4-dichlorophenyl)-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 15917776
1-[[2-(2,4-dichlorophenyl)-4-(2-methoxyethoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 15917779
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;2H-triazole
CID 66770205

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole (CID 70424591) is 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole is Clc1ccc(C2(CCn3cncn3)OCCO2)c(Cl)c1.
What is the InChIKey of 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole?
The InChIKey is PLMBMEXGGQWUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c14-10-1-2-11(12(15)7-10)13(19-5-6-20-13)3-4-18-9-16-8-17-18/h1-2,7-9H,3-6H2.
What are the key properties of 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole?
1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole has a molecular weight of 314.17 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 70424591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).