2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol

C10H19N3O — CID 59539687

IUPAC2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCn1c(C(C)(C)C)nnc1C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-9(2,3)7-11-12-8(13(7)6)10(4,5)14/h14H,1-6H3
InChIKeyJLSUODCDMYLABW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.34
Rot. Bonds1

About 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol

2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 59539687) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID59539687
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCn1c(C(C)(C)C)nnc1C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-9(2,3)7-11-12-8(13(7)6)10(4,5)14/h14H,1-6H3
InChIKeyJLSUODCDMYLABW-UHFFFAOYSA-N
XLogP1.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 59539687) is 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol is Cn1c(C(C)(C)C)nnc1C(C)(C)O.
What is the InChIKey of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is JLSUODCDMYLABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2,3)7-11-12-8(13(7)6)10(4,5)14/h14H,1-6H3.
What are the key properties of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol?
2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 59539687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).