5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole

C9H15N3O — CID 155941749

IUPAC5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole
SMILESCn1ncnc1COC1CCCC1
InChIInChI=1S/C9H15N3O/c1-12-9(10-7-11-12)6-13-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyXPQBDFUDUOQUAV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.27
Rot. Bonds3

About 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole

5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole (PubChem CID 155941749) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole
PubChem CID155941749
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole
SMILESCn1ncnc1COC1CCCC1
InChIInChI=1S/C9H15N3O/c1-12-9(10-7-11-12)6-13-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyXPQBDFUDUOQUAV-UHFFFAOYSA-N
XLogP1.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole (CID 155941749) is 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole is Cn1ncnc1COC1CCCC1.
What is the InChIKey of 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole?
The InChIKey is XPQBDFUDUOQUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-9(10-7-11-12)6-13-8-4-2-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole?
5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 155941749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).