3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole

C12H14ClN3O — CID 63385701

IUPAC3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1ccc(OC)c(C)c1
InChIInChI=1S/C12H14ClN3O/c1-4-11-14-15-12(13)16(11)9-5-6-10(17-3)8(2)7-9/h5-7H,4H2,1-3H3
InChIKeyORWISIGWDMIAHH-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.80
Rot. Bonds3

About 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole

3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole (PubChem CID 63385701) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole
PubChem CID63385701
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1ccc(OC)c(C)c1
InChIInChI=1S/C12H14ClN3O/c1-4-11-14-15-12(13)16(11)9-5-6-10(17-3)8(2)7-9/h5-7H,4H2,1-3H3
InChIKeyORWISIGWDMIAHH-UHFFFAOYSA-N
XLogP2.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyl-1,2,4-triazole
CID 63384620
3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole
CID 63384967
3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole
CID 63384218
3-chloro-4-(3-chloro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 55184756
4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole
CID 63385182
3-chloro-4-(3-fluoro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 63384436
3-chloro-4-(2,3-dimethylphenyl)-5-ethyl-1,2,4-triazole
CID 63384946
9-(4-methoxy-3-methylphenyl)carbazole
CID 123263488
3-(chloromethyl)-4-(2,5-dimethoxyphenyl)-5-ethyl-1,2,4-triazole
CID 83968202
3-[3-(4-chloro-2-methylphenoxy)propyl]-4-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 17371642
4-(3-chloro-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 2732215
3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole
CID 63384989

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole (CID 63385701) is 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole is CCc1nnc(Cl)n1-c1ccc(OC)c(C)c1.
What is the InChIKey of 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole?
The InChIKey is ORWISIGWDMIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-4-11-14-15-12(13)16(11)9-5-6-10(17-3)8(2)7-9/h5-7H,4H2,1-3H3.
What are the key properties of 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole?
3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole has a molecular weight of 251.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 63385701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).