5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole

C13H15N3O2 — CID 61336548

IUPAC5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccc(-c2n[nH]c(C3CC3)n2)c(OC)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-5-6-10(11(7-9)18-2)13-14-12(15-16-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyRDWRTBWKPGVGPH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.37
Rot. Bonds4

About 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole

5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole (PubChem CID 61336548) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
PubChem CID61336548
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccc(-c2n[nH]c(C3CC3)n2)c(OC)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-5-6-10(11(7-9)18-2)13-14-12(15-16-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyRDWRTBWKPGVGPH-UHFFFAOYSA-N
XLogP2.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 102883587
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
CID 61337352
5-cyclohexyl-3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336565
2-cyclopropyl-4-(2,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483621
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
4-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 115390407
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 136692542
2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine
CID 62077685
5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 84693526
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,5-difluoroaniline
CID 62865548
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874188

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole (CID 61336548) is 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole is COc1ccc(-c2n[nH]c(C3CC3)n2)c(OC)c1.
What is the InChIKey of 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is RDWRTBWKPGVGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-9-5-6-10(11(7-9)18-2)13-14-12(15-16-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole?
5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 245.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61336548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).