3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole

C7H13N3O — CID 115393871

IUPAC3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole
SMILESCOCc1nncn1C(C)C
InChIInChI=1S/C7H13N3O/c1-6(2)10-5-8-9-7(10)4-11-3/h5-6H,4H2,1-3H3
InChIKeyMAGAZKLGLQNBRZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.01
Rot. Bonds3

About 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole

3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole (PubChem CID 115393871) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole
PubChem CID115393871
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole
SMILESCOCc1nncn1C(C)C
InChIInChI=1S/C7H13N3O/c1-6(2)10-5-8-9-7(10)4-11-3/h5-6H,4H2,1-3H3
InChIKeyMAGAZKLGLQNBRZ-UHFFFAOYSA-N
XLogP1.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole (CID 115393871) is 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole is COCc1nncn1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole?
The InChIKey is MAGAZKLGLQNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(2)10-5-8-9-7(10)4-11-3/h5-6H,4H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole?
3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole has a molecular weight of 155.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 115393871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).