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

C11H19N3O — CID 66025427

IUPAC[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCCCn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C11H19N3O/c1-2-6-14-10(12-9-13-14)7-11(8-15)4-3-5-11/h9,15H,2-8H2,1H3
InChIKeyQVMMSISAGZATMG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.39
Rot. Bonds5

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

[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (PubChem CID 66025427) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
PubChem CID66025427
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCCCn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C11H19N3O/c1-2-6-14-10(12-9-13-14)7-11(8-15)4-3-5-11/h9,15H,2-8H2,1H3
InChIKeyQVMMSISAGZATMG-UHFFFAOYSA-N
XLogP1.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (CID 66025427) is [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is CCCn1ncnc1CC1(CO)CCC1.
What is the InChIKey of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The InChIKey is QVMMSISAGZATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-6-14-10(12-9-13-14)7-11(8-15)4-3-5-11/h9,15H,2-8H2,1H3.
What are the key properties of [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66025427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).