1-(cyclobutylmethyl)-4-(methoxymethyl)triazole

C9H15N3O — CID 118265065

IUPAC1-(cyclobutylmethyl)-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC2CCC2)nn1
InChIInChI=1S/C9H15N3O/c1-13-7-9-6-12(11-10-9)5-8-3-2-4-8/h6,8H,2-5,7H2,1H3
InChIKeyGJGOEQKECABFIC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.22
Rot. Bonds4

About 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole

1-(cyclobutylmethyl)-4-(methoxymethyl)triazole (PubChem CID 118265065) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-(methoxymethyl)triazole
PubChem CID118265065
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(cyclobutylmethyl)-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC2CCC2)nn1
InChIInChI=1S/C9H15N3O/c1-13-7-9-6-12(11-10-9)5-8-3-2-4-8/h6,8H,2-5,7H2,1H3
InChIKeyGJGOEQKECABFIC-UHFFFAOYSA-N
XLogP1.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole?
The IUPAC name of 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole (CID 118265065) is 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole?
The canonical SMILES for 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole is COCc1cn(CC2CCC2)nn1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole?
The InChIKey is GJGOEQKECABFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-7-9-6-12(11-10-9)5-8-3-2-4-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole?
1-(cyclobutylmethyl)-4-(methoxymethyl)triazole has a molecular weight of 181.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-(methoxymethyl)triazole is sourced from PubChem (CID 118265065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).