3,5-dimethoxy-1H-1,2,4-triazole

C4H7N3O2 — CID 539449

IUPAC3,5-dimethoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(OC)n1
InChIInChI=1S/C4H7N3O2/c1-8-3-5-4(9-2)7-6-3/h1-2H3,(H,5,6,7)
InChIKeyYJOYZLCIMKYAIJ-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.18
Rot. Bonds2

About 3,5-dimethoxy-1H-1,2,4-triazole

3,5-dimethoxy-1H-1,2,4-triazole (PubChem CID 539449) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3,5-dimethoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethoxy-1H-1,2,4-triazole
PubChem CID539449
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name3,5-dimethoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(OC)n1
InChIInChI=1S/C4H7N3O2/c1-8-3-5-4(9-2)7-6-3/h1-2H3,(H,5,6,7)
InChIKeyYJOYZLCIMKYAIJ-UHFFFAOYSA-N
XLogP-0.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-azido-3-methoxy-1H-1,2,4-triazole
CID 3450738
(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine
CID 83872219
N-(3-methoxy-1H-1,2,4-triazol-5-yl)formamide
CID 83102737
1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 83872862
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-ene-1-sulfonamide
CID 83102668
3-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide
CID 83101437
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 83101038
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1H-1,2,4-triazole?
The IUPAC name of 3,5-dimethoxy-1H-1,2,4-triazole (CID 539449) is 3,5-dimethoxy-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethoxy-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dimethoxy-1H-1,2,4-triazole is COc1n[nH]c(OC)n1.
What is the InChIKey of 3,5-dimethoxy-1H-1,2,4-triazole?
The InChIKey is YJOYZLCIMKYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-8-3-5-4(9-2)7-6-3/h1-2H3,(H,5,6,7).
What are the key properties of 3,5-dimethoxy-1H-1,2,4-triazole?
3,5-dimethoxy-1H-1,2,4-triazole has a molecular weight of 129.12 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1H-1,2,4-triazole is sourced from PubChem (CID 539449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).