4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole

C10H17N3O — CID 153072522

IUPAC4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole
SMILESC=C(C)CCOC(C)Cc1cn[nH]n1
InChIInChI=1S/C10H17N3O/c1-8(2)4-5-14-9(3)6-10-7-11-13-12-10/h7,9H,1,4-6H2,2-3H3,(H,11,12,13)
InChIKeyVLQBOAFSBWDRCC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.72
Rot. Bonds6

About 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole

4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole (PubChem CID 153072522) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole
PubChem CID153072522
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole
SMILESC=C(C)CCOC(C)Cc1cn[nH]n1
InChIInChI=1S/C10H17N3O/c1-8(2)4-5-14-9(3)6-10-7-11-13-12-10/h7,9H,1,4-6H2,2-3H3,(H,11,12,13)
InChIKeyVLQBOAFSBWDRCC-UHFFFAOYSA-N
XLogP1.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Glycidyl triazole
CID 18953329
Triazolylpropan-2-ol
CID 69279241
1-(2H-triazol-4-yl)-4-trimethylsilylbutan-2-ol
CID 91226875
4-(oxetan-2-ylmethyl)-2H-triazole
CID 19886506
1-(2H-triazol-4-yl)butan-2-ol
CID 20518333
3,3-dimethyl-1-(2H-triazol-4-yl)butan-2-ol
CID 54180298
4-[[(4R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-triazole
CID 58560740
4-methyl-1-(2H-triazol-4-yl)pentan-2-ol
CID 69282924
3-methyl-3-(2H-triazol-4-yl)pentan-2-ol
CID 69355647
4-(tetrahydrofuran-3-yl)-1H-1,2,3-triazole
CID 69834536
2-(2H-triazol-4-yl)butan-1-ol
CID 89588819
4-(2-methoxyethyl)-2H-triazole
CID 90976903

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole?
The IUPAC name of 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole (CID 153072522) is 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole is C=C(C)CCOC(C)Cc1cn[nH]n1.
What is the InChIKey of 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole?
The InChIKey is VLQBOAFSBWDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)4-5-14-9(3)6-10-7-11-13-12-10/h7,9H,1,4-6H2,2-3H3,(H,11,12,13).
What are the key properties of 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole?
4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole is sourced from PubChem (CID 153072522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).