2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol

C13H25N3O — CID 66023702

IUPAC2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
SMILESCCCC(C)(CO)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-13(4,9-17)7-12-14-10-15-16(12)8-11(2)3/h10-11,17H,5-9H2,1-4H3
InChIKeyJELIJJOSSOVEBN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.28
Rot. Bonds7

About 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol

2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol (PubChem CID 66023702) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
PubChem CID66023702
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
SMILESCCCC(C)(CO)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-13(4,9-17)7-12-14-10-15-16(12)8-11(2)3/h10-11,17H,5-9H2,1-4H3
InChIKeyJELIJJOSSOVEBN-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol (CID 66023702) is 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol is CCCC(C)(CO)Cc1ncnn1CC(C)C.
What is the InChIKey of 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol?
The InChIKey is JELIJJOSSOVEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-13(4,9-17)7-12-14-10-15-16(12)8-11(2)3/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol?
2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol is sourced from PubChem (CID 66023702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).