1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole

C9H17N3O — CID 70660586

IUPAC1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC(C)(C)C)nn1
InChIInChI=1S/C9H17N3O/c1-9(2,3)7-12-5-8(6-13-4)10-11-12/h5H,6-7H2,1-4H3
InChIKeyGAZWIWDWYYFWPL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole

1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole (PubChem CID 70660586) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole
PubChem CID70660586
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC(C)(C)C)nn1
InChIInChI=1S/C9H17N3O/c1-9(2,3)7-12-5-8(6-13-4)10-11-12/h5H,6-7H2,1-4H3
InChIKeyGAZWIWDWYYFWPL-UHFFFAOYSA-N
XLogP1.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole (CID 70660586) is 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole is COCc1cn(CC(C)(C)C)nn1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole?
The InChIKey is GAZWIWDWYYFWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)7-12-5-8(6-13-4)10-11-12/h5H,6-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole?
1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole has a molecular weight of 183.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(methoxymethyl)triazole is sourced from PubChem (CID 70660586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).