[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol

C9H9N3O — CID 57474693

IUPAC[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol
SMILESOCc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C9H9N3O/c13-5-7-1-3-8(4-2-7)9-10-6-11-12-9/h1-4,6,13H,5H2,(H,10,11,12)
InChIKeyPLCHZIQEFXONKU-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.96
Rot. Bonds2

About [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol

[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol (PubChem CID 57474693) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol
PubChem CID57474693
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol
SMILESOCc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C9H9N3O/c13-5-7-1-3-8(4-2-7)9-10-6-11-12-9/h1-4,6,13H,5H2,(H,10,11,12)
InChIKeyPLCHZIQEFXONKU-UHFFFAOYSA-N
XLogP0.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol?
The IUPAC name of [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol (CID 57474693) is [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol.
What is the SMILES notation for [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol?
The canonical SMILES for [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol is OCc1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol?
The InChIKey is PLCHZIQEFXONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-5-7-1-3-8(4-2-7)9-10-6-11-12-9/h1-4,6,13H,5H2,(H,10,11,12).
What are the key properties of [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol?
[4-(1H-1,2,4-triazol-5-yl)phenyl]methanol has a molecular weight of 175.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-1,2,4-triazol-5-yl)phenyl]methanol is sourced from PubChem (CID 57474693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).