1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol

C10H17N3O — CID 130601818

IUPAC1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1CC1(C)CCC1
InChIInChI=1S/C10H17N3O/c1-8(14)9-6-11-12-13(9)7-10(2)4-3-5-10/h6,8,14H,3-5,7H2,1-2H3
InChIKeyNKWDETKQBMHIPH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.52
Rot. Bonds3

About 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol

1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol (PubChem CID 130601818) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol
PubChem CID130601818
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1CC1(C)CCC1
InChIInChI=1S/C10H17N3O/c1-8(14)9-6-11-12-13(9)7-10(2)4-3-5-10/h6,8,14H,3-5,7H2,1-2H3
InChIKeyNKWDETKQBMHIPH-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol (CID 130601818) is 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol is CC(O)c1cnnn1CC1(C)CCC1.
What is the InChIKey of 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol?
The InChIKey is NKWDETKQBMHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(14)9-6-11-12-13(9)7-10(2)4-3-5-10/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol?
1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol has a molecular weight of 195.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 130601818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).