[1-(4-nitrophenyl)triazol-4-yl]methanol

C9H8N4O3 — CID 14872470

IUPAC[1-(4-nitrophenyl)triazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C9H8N4O3/c14-6-7-5-12(11-10-7)8-1-3-9(4-2-8)13(15)16/h1-5,14H,6H2
InChIKeyNIFGKSJKCMZAEF-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.67
Rot. Bonds3

About [1-(4-nitrophenyl)triazol-4-yl]methanol

[1-(4-nitrophenyl)triazol-4-yl]methanol (PubChem CID 14872470) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is [1-(4-nitrophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-nitrophenyl)triazol-4-yl]methanol
PubChem CID14872470
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name[1-(4-nitrophenyl)triazol-4-yl]methanol
SMILESO=[N+]([O-])c1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C9H8N4O3/c14-6-7-5-12(11-10-7)8-1-3-9(4-2-8)13(15)16/h1-5,14H,6H2
InChIKeyNIFGKSJKCMZAEF-UHFFFAOYSA-N
XLogP0.67
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-nitrophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-nitrophenyl)triazol-4-yl]methanol (CID 14872470) is [1-(4-nitrophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-nitrophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-nitrophenyl)triazol-4-yl]methanol is O=[N+]([O-])c1ccc(-n2cc(CO)nn2)cc1.
What is the InChIKey of [1-(4-nitrophenyl)triazol-4-yl]methanol?
The InChIKey is NIFGKSJKCMZAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-6-7-5-12(11-10-7)8-1-3-9(4-2-8)13(15)16/h1-5,14H,6H2.
What are the key properties of [1-(4-nitrophenyl)triazol-4-yl]methanol?
[1-(4-nitrophenyl)triazol-4-yl]methanol has a molecular weight of 220.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitrophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 14872470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).