[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C11H21N3O — CID 115396881

IUPAC[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC(C)(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-14-9(7-11(2,3)4)12-13-10(14)8-15/h15H,5-8H2,1-4H3
InChIKeyUIHBZELAPOMGGJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.77
Rot. Bonds4

About [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396881) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396881
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC(C)(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-14-9(7-11(2,3)4)12-13-10(14)8-15/h15H,5-8H2,1-4H3
InChIKeyUIHBZELAPOMGGJ-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 115396881) is [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1CC(C)(C)C.
What is the InChIKey of [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UIHBZELAPOMGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-6-14-9(7-11(2,3)4)12-13-10(14)8-15/h15H,5-8H2,1-4H3.
What are the key properties of [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 211.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).