1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole

C12H13Cl2N3 — CID 123784071

IUPAC1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C(C)C)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-7(2)12-15-8(3)17(16-12)11-5-4-9(13)6-10(11)14/h4-7H,1-3H3
InChIKeySZAIJKQMPZGWLQ-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.01
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole

1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole (PubChem CID 123784071) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
PubChem CID123784071
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C(C)C)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-7(2)12-15-8(3)17(16-12)11-5-4-9(13)6-10(11)14/h4-7H,1-3H3
InChIKeySZAIJKQMPZGWLQ-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)aniline
CID 82513216
(1R)-1-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine
CID 78937602
5-chloro-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43328191
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482816
2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
CID 175512322
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
CID 66021764
1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
CID 142960581
5-chloro-1-(2,4-dichlorophenyl)-4-nitro-3-propan-2-ylpyrazole
CID 66020734
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]ethanol
CID 123417609
3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1-ethyl-5-propan-2-yl-1,2,4-triazole
CID 66844825
1-(2,4-dichlorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3989603
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
CID 82419280

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole (CID 123784071) is 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole is Cc1nc(C(C)C)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
The InChIKey is SZAIJKQMPZGWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-7(2)12-15-8(3)17(16-12)11-5-4-9(13)6-10(11)14/h4-7H,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole?
1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole has a molecular weight of 270.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 123784071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).