1-(triazol-1-yl)propan-2-ol

C5H9N3O — CID 22114362

IUPAC1-(triazol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccnn1
InChIInChI=1S/C5H9N3O/c1-5(9)4-8-3-2-6-7-8/h2-3,5,9H,4H2,1H3
InChIKeyMUZWURBFVCHTIC-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.34
Rot. Bonds2

About 1-(triazol-1-yl)propan-2-ol

1-(triazol-1-yl)propan-2-ol (PubChem CID 22114362) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(triazol-1-yl)propan-2-ol
PubChem CID22114362
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(triazol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccnn1
InChIInChI=1S/C5H9N3O/c1-5(9)4-8-3-2-6-7-8/h2-3,5,9H,4H2,1H3
InChIKeyMUZWURBFVCHTIC-UHFFFAOYSA-N
XLogP-0.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(triazol-1-yl)propan-2-ol (CID 22114362) is 1-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(triazol-1-yl)propan-2-ol is CC(O)Cn1ccnn1.
What is the InChIKey of 1-(triazol-1-yl)propan-2-ol?
The InChIKey is MUZWURBFVCHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-5(9)4-8-3-2-6-7-8/h2-3,5,9H,4H2,1H3.
What are the key properties of 1-(triazol-1-yl)propan-2-ol?
1-(triazol-1-yl)propan-2-ol has a molecular weight of 127.15 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 22114362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).