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

C4H6ClN3O — CID 75464773

IUPAC5-chloro-1-(methoxymethyl)-1,2,4-triazole
SMILESCOCn1ncnc1Cl
InChIInChI=1S/C4H6ClN3O/c1-9-3-8-4(5)6-2-7-8/h2H,3H2,1H3
InChIKeyPYFUOGDEONKDTF-UHFFFAOYSA-N
MW147.57 g/mol
LogP0.54
Rot. Bonds2

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

5-chloro-1-(methoxymethyl)-1,2,4-triazole (PubChem CID 75464773) has the molecular formula C4H6ClN3O and a molecular weight of 147.57 g/mol. Its IUPAC name is 5-chloro-1-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-1-(methoxymethyl)-1,2,4-triazole
PubChem CID75464773
Molecular FormulaC4H6ClN3O
Molecular Weight147.57 g/mol
Exact Mass147.02
IUPAC Name5-chloro-1-(methoxymethyl)-1,2,4-triazole
SMILESCOCn1ncnc1Cl
InChIInChI=1S/C4H6ClN3O/c1-9-3-8-4(5)6-2-7-8/h2H,3H2,1H3
InChIKeyPYFUOGDEONKDTF-UHFFFAOYSA-N
XLogP0.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 5-chloro-1-(methoxymethyl)-1,2,4-triazole (CID 75464773) is 5-chloro-1-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 5-chloro-1-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 5-chloro-1-(methoxymethyl)-1,2,4-triazole is COCn1ncnc1Cl.
What is the InChIKey of 5-chloro-1-(methoxymethyl)-1,2,4-triazole?
The InChIKey is PYFUOGDEONKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O/c1-9-3-8-4(5)6-2-7-8/h2H,3H2,1H3.
What are the key properties of 5-chloro-1-(methoxymethyl)-1,2,4-triazole?
5-chloro-1-(methoxymethyl)-1,2,4-triazole has a molecular weight of 147.57 g/mol, XLogP of 0.54, 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)-1,2,4-triazole is sourced from PubChem (CID 75464773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).