1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole

C14H16ClN3O2 — CID 50982690

IUPAC1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CC2)nn1-c1cc(Cl)ccc1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-8-13-16-14(9-3-4-9)17-18(13)11-7-10(15)5-6-12(11)20-2/h5-7,9H,3-4,8H2,1-2H3
InChIKeyOPVKREUVFHAKLG-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.95
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole

1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole (PubChem CID 50982690) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole
PubChem CID50982690
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1nc(C2CC2)nn1-c1cc(Cl)ccc1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-8-13-16-14(9-3-4-9)17-18(13)11-7-10(15)5-6-12(11)20-2/h5-7,9H,3-4,8H2,1-2H3
InChIKeyOPVKREUVFHAKLG-UHFFFAOYSA-N
XLogP2.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole (CID 50982690) is 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole is COCc1nc(C2CC2)nn1-c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
The InChIKey is OPVKREUVFHAKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-8-13-16-14(9-3-4-9)17-18(13)11-7-10(15)5-6-12(11)20-2/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole?
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole has a molecular weight of 293.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-(methoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 50982690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).