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

C12H14ClN3O2 — CID 157013961

IUPAC3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
SMILESCOCc1nc(-c2cc(OC)ccc2Cl)nn1C
InChIInChI=1S/C12H14ClN3O2/c1-16-11(7-17-2)14-12(15-16)9-6-8(18-3)4-5-10(9)13/h4-6H,7H2,1-3H3
InChIKeyZEAHODPTKVIEDG-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.29
Rot. Bonds4

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

3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole (PubChem CID 157013961) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
PubChem CID157013961
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
SMILESCOCc1nc(-c2cc(OC)ccc2Cl)nn1C
InChIInChI=1S/C12H14ClN3O2/c1-16-11(7-17-2)14-12(15-16)9-6-8(18-3)4-5-10(9)13/h4-6H,7H2,1-3H3
InChIKeyZEAHODPTKVIEDG-UHFFFAOYSA-N
XLogP2.29
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
CID 157019727
3-(2,3-dihydro-1-benzofuran-7-yl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157016449
3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370804
5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
CID 157011839
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazole
CID 157016083
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
2-(1,5-dimethyl-1,2,4-triazol-3-yl)-5-methoxyaniline
CID 82472159
2-[[5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 136674887
2-[[5-(2,5-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602319
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole (CID 157013961) is 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole is COCc1nc(-c2cc(OC)ccc2Cl)nn1C.
What is the InChIKey of 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The InChIKey is ZEAHODPTKVIEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-11(7-17-2)14-12(15-16)9-6-8(18-3)4-5-10(9)13/h4-6H,7H2,1-3H3.
What are the key properties of 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole has a molecular weight of 267.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 157013961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).