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

C5H8ClN3O — CID 91640912

IUPAC5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole
SMILESCOCn1nc(C)nc1Cl
InChIInChI=1S/C5H8ClN3O/c1-4-7-5(6)9(8-4)3-10-2/h3H2,1-2H3
InChIKeyGFKPSDNOKIMTDK-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.84
Rot. Bonds2

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

5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole (PubChem CID 91640912) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole
PubChem CID91640912
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole
SMILESCOCn1nc(C)nc1Cl
InChIInChI=1S/C5H8ClN3O/c1-4-7-5(6)9(8-4)3-10-2/h3H2,1-2H3
InChIKeyGFKPSDNOKIMTDK-UHFFFAOYSA-N
XLogP0.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-1,3-dimethyl-1H-1,2,4-triazole
CID 143397
5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
CID 13103100
3-chloro-4,5-dimethyl-4H-1,2,4-triazole
CID 143390
3-Chloro-1,5-dimethyl-1H-1,2,4-triazole
CID 143395
3-bromo-1-(methoxymethyl)-5-methyl-1H-1,2,4-triazole
CID 130118663
1-Ethyl-3,5-dimethyl-1H-1,2,4-triazole
CID 13010288
3-(Fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
CID 56988703
3-(Fluoromethyl)-1,5-dimethyl-1,2,4-triazole
CID 89042885
1,5-Dimethyl-3-(trifluoromethoxy)-1,2,4-triazole
CID 118466184
3-Fluoro-1,5-dimethyl-1,2,4-triazole
CID 118466190
5-Fluoro-1,3-dimethyl-1,2,4-triazole
CID 144946122
1,3-Dimethyl-5-(trifluoromethoxy)-1,2,4-triazole
CID 144946144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole (CID 91640912) is 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole is COCn1nc(C)nc1Cl.
What is the InChIKey of 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole?
The InChIKey is GFKPSDNOKIMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O/c1-4-7-5(6)9(8-4)3-10-2/h3H2,1-2H3.
What are the key properties of 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole?
5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole has a molecular weight of 161.59 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 91640912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).