(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

C5H9N3O — CID 124509417

IUPAC(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESCC[C@H](O)c1ncn[nH]1
InChIInChI=1S/C5H9N3O/c1-2-4(9)5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)/t4-/m0/s1
InChIKeyFKWGJSLGGBBAQF-BYPYZUCNSA-N
MW127.15 g/mol
LogP0.25
Rot. Bonds2

About (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 124509417) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID124509417
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESCC[C@H](O)c1ncn[nH]1
InChIInChI=1S/C5H9N3O/c1-2-4(9)5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)/t4-/m0/s1
InChIKeyFKWGJSLGGBBAQF-BYPYZUCNSA-N
XLogP0.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363176
5-(1-chloropropyl)-1H-1,2,4-triazole
CID 67571292
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081
1-chloro-3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol
CID 86748513
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
2-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 71650519
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65362826
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (CID 124509417) is (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is CC[C@H](O)c1ncn[nH]1.
What is the InChIKey of (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is FKWGJSLGGBBAQF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-4(9)5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)/t4-/m0/s1.
What are the key properties of (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 127.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 124509417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).