1-(2H-triazol-4-yl)butan-2-ol

C6H11N3O — CID 20518333

IUPAC1-(2H-triazol-4-yl)butan-2-ol
SMILESCCC(O)Cc1cn[nH]n1
InChIInChI=1S/C6H11N3O/c1-2-6(10)3-5-4-7-9-8-5/h4,6,10H,2-3H2,1H3,(H,7,8,9)
InChIKeyAJSLQYMVPFTISC-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.12
Rot. Bonds3

About 1-(2H-triazol-4-yl)butan-2-ol

1-(2H-triazol-4-yl)butan-2-ol (PubChem CID 20518333) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)butan-2-ol
PubChem CID20518333
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(2H-triazol-4-yl)butan-2-ol
SMILESCCC(O)Cc1cn[nH]n1
InChIInChI=1S/C6H11N3O/c1-2-6(10)3-5-4-7-9-8-5/h4,6,10H,2-3H2,1H3,(H,7,8,9)
InChIKeyAJSLQYMVPFTISC-UHFFFAOYSA-N
XLogP0.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)butan-2-ol?
The IUPAC name of 1-(2H-triazol-4-yl)butan-2-ol (CID 20518333) is 1-(2H-triazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-(2H-triazol-4-yl)butan-2-ol?
The canonical SMILES for 1-(2H-triazol-4-yl)butan-2-ol is CCC(O)Cc1cn[nH]n1.
What is the InChIKey of 1-(2H-triazol-4-yl)butan-2-ol?
The InChIKey is AJSLQYMVPFTISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-6(10)3-5-4-7-9-8-5/h4,6,10H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 1-(2H-triazol-4-yl)butan-2-ol?
1-(2H-triazol-4-yl)butan-2-ol has a molecular weight of 141.17 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)butan-2-ol is sourced from PubChem (CID 20518333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).