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

C14H15Cl2N3O2 — CID 19911299

IUPAC1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole
SMILESCCC1COC(c2ccc(Cl)cc2Cl)(n2cnc(C)n2)O1
InChIInChI=1S/C14H15Cl2N3O2/c1-3-11-7-20-14(21-11,19-8-17-9(2)18-19)12-5-4-10(15)6-13(12)16/h4-6,8,11H,3,7H2,1-2H3
InChIKeyJNSVQHOPAPDSQS-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.38
Rot. Bonds3

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

1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole (PubChem CID 19911299) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole
PubChem CID19911299
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole
SMILESCCC1COC(c2ccc(Cl)cc2Cl)(n2cnc(C)n2)O1
InChIInChI=1S/C14H15Cl2N3O2/c1-3-11-7-20-14(21-11,19-8-17-9(2)18-19)12-5-4-10(15)6-13(12)16/h4-6,8,11H,3,7H2,1-2H3
InChIKeyJNSVQHOPAPDSQS-UHFFFAOYSA-N
XLogP3.38
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
CID 164706205
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
2-[4-[(2,4-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]-1-methylimidazole
CID 70590383
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 736786
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 736787
1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 679165
1-[[2-[4-chloro-2-(difluoromethoxy)phenyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 23043294
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54343351
1-[[4-[(2-bromo-4-methylphenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70589136
1-[[2-(2,4-dichlorophenyl)-4-[[4-(3-methylpyrazol-1-yl)phenoxy]methyl]-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 13019865
1-[[4-[(3,5-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70590204
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole (CID 19911299) is 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole is CCC1COC(c2ccc(Cl)cc2Cl)(n2cnc(C)n2)O1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole?
The InChIKey is JNSVQHOPAPDSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-3-11-7-20-14(21-11,19-8-17-9(2)18-19)12-5-4-10(15)6-13(12)16/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole?
1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole has a molecular weight of 328.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 19911299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).