[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol

C10H17N3O — CID 66024549

IUPAC[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCCn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C10H17N3O/c1-2-13-9(11-8-12-13)6-10(7-14)4-3-5-10/h8,14H,2-7H2,1H3
InChIKeyXTKFJSFXRJGGSK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.00
Rot. Bonds4

About [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol

[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (PubChem CID 66024549) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
PubChem CID66024549
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCCn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C10H17N3O/c1-2-13-9(11-8-12-13)6-10(7-14)4-3-5-10/h8,14H,2-7H2,1H3
InChIKeyXTKFJSFXRJGGSK-UHFFFAOYSA-N
XLogP1.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (CID 66024549) is [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is CCn1ncnc1CC1(CO)CCC1.
What is the InChIKey of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The InChIKey is XTKFJSFXRJGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-9(11-8-12-13)6-10(7-14)4-3-5-10/h8,14H,2-7H2,1H3.
What are the key properties of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol has a molecular weight of 195.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66024549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).