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

C13H25N3O — CID 113301696

IUPAC[4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC(C)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-7-16-11(14-15-12(16)9-17)8-10(2)13(3,4)5/h10,17H,6-9H2,1-5H3
InChIKeyPXKGJAFUMCWDLX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.41
Rot. Bonds5

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

[4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 113301696) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
PubChem CID113301696
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC(C)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-7-16-11(14-15-12(16)9-17)8-10(2)13(3,4)5/h10,17H,6-9H2,1-5H3
InChIKeyPXKGJAFUMCWDLX-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol (CID 113301696) is [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1CC(C)C(C)(C)C.
What is the InChIKey of [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is PXKGJAFUMCWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-7-16-11(14-15-12(16)9-17)8-10(2)13(3,4)5/h10,17H,6-9H2,1-5H3.
What are the key properties of [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol?
[4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-5-(2,3,3-trimethylbutyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).