2-methyl-1-(2H-triazol-4-yl)pentan-3-ol

C8H15N3O — CID 68852966

IUPAC2-methyl-1-(2H-triazol-4-yl)pentan-3-ol
SMILESCCC(O)C(C)Cc1cn[nH]n1
InChIInChI=1S/C8H15N3O/c1-3-8(12)6(2)4-7-5-9-11-10-7/h5-6,8,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyCLJFDEGOLGFMED-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol

2-methyl-1-(2H-triazol-4-yl)pentan-3-ol (PubChem CID 68852966) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol.

Molecular Properties

Compound Name2-methyl-1-(2H-triazol-4-yl)pentan-3-ol
PubChem CID68852966
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-1-(2H-triazol-4-yl)pentan-3-ol
SMILESCCC(O)C(C)Cc1cn[nH]n1
InChIInChI=1S/C8H15N3O/c1-3-8(12)6(2)4-7-5-9-11-10-7/h5-6,8,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyCLJFDEGOLGFMED-UHFFFAOYSA-N
XLogP0.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol?
The IUPAC name of 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol (CID 68852966) is 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol.
What is the SMILES notation for 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol?
The canonical SMILES for 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol is CCC(O)C(C)Cc1cn[nH]n1.
What is the InChIKey of 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol?
The InChIKey is CLJFDEGOLGFMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-8(12)6(2)4-7-5-9-11-10-7/h5-6,8,12H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol?
2-methyl-1-(2H-triazol-4-yl)pentan-3-ol has a molecular weight of 169.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-triazol-4-yl)pentan-3-ol is sourced from PubChem (CID 68852966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).