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

C11H21N3O — CID 71167280

IUPAC3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ncn(CC(C)C)n1
InChIInChI=1S/C11H21N3O/c1-5-11(15,6-2)10-12-8-14(13-10)7-9(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyQYZXWBQLHPKIIK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.94
Rot. Bonds5

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

3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol (PubChem CID 71167280) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
PubChem CID71167280
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ncn(CC(C)C)n1
InChIInChI=1S/C11H21N3O/c1-5-11(15,6-2)10-12-8-14(13-10)7-9(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyQYZXWBQLHPKIIK-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol?
The IUPAC name of 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol (CID 71167280) is 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol.
What is the SMILES notation for 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol?
The canonical SMILES for 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol is CCC(O)(CC)c1ncn(CC(C)C)n1.
What is the InChIKey of 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol?
The InChIKey is QYZXWBQLHPKIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-11(15,6-2)10-12-8-14(13-10)7-9(3)4/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol?
3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol has a molecular weight of 211.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol is sourced from PubChem (CID 71167280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).