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

C5H9N3O — CID 129170845

IUPAC(2R)-1-(triazol-1-yl)propan-2-ol
SMILESC[C@@H](O)Cn1ccnn1
InChIInChI=1S/C5H9N3O/c1-5(9)4-8-3-2-6-7-8/h2-3,5,9H,4H2,1H3/t5-/m1/s1
InChIKeyMUZWURBFVCHTIC-RXMQYKEDSA-N
MW127.15 g/mol
LogP-0.34
Rot. Bonds2

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

(2R)-1-(triazol-1-yl)propan-2-ol (PubChem CID 129170845) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (2R)-1-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(triazol-1-yl)propan-2-ol
PubChem CID129170845
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(2R)-1-(triazol-1-yl)propan-2-ol
SMILESC[C@@H](O)Cn1ccnn1
InChIInChI=1S/C5H9N3O/c1-5(9)4-8-3-2-6-7-8/h2-3,5,9H,4H2,1H3/t5-/m1/s1
InChIKeyMUZWURBFVCHTIC-RXMQYKEDSA-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 (2R)-1-(triazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(triazol-1-yl)propan-2-ol (CID 129170845) is (2R)-1-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(triazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(triazol-1-yl)propan-2-ol is C[C@@H](O)Cn1ccnn1.
What is the InChIKey of (2R)-1-(triazol-1-yl)propan-2-ol?
The InChIKey is MUZWURBFVCHTIC-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9N3O/c1-5(9)4-8-3-2-6-7-8/h2-3,5,9H,4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-(triazol-1-yl)propan-2-ol?
(2R)-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 (2R)-1-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 129170845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).