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

C8H15N3O — CID 170376047

IUPAC3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCOCc1nc(C(C)C)n(C)n1
InChIInChI=1S/C8H15N3O/c1-6(2)8-9-7(5-12-4)10-11(8)3/h6H,5H2,1-4H3
InChIKeyPGNZENZKHFCIOK-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.08
Rot. Bonds3

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

3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 170376047) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID170376047
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCOCc1nc(C(C)C)n(C)n1
InChIInChI=1S/C8H15N3O/c1-6(2)8-9-7(5-12-4)10-11(8)3/h6H,5H2,1-4H3
InChIKeyPGNZENZKHFCIOK-UHFFFAOYSA-N
XLogP1.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole (CID 170376047) is 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole is COCc1nc(C(C)C)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is PGNZENZKHFCIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)8-9-7(5-12-4)10-11(8)3/h6H,5H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 169.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 170376047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).