methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde

C10H12N4O2 — CID 142404319

IUPACmethanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde
SMILESCO.O=Cc1cccc(Cn2ccnn2)n1
InChIInChI=1S/C9H8N4O.CH4O/c14-7-9-3-1-2-8(11-9)6-13-5-4-10-12-13;1-2/h1-5,7H,6H2;2H,1H3
InChIKeyQLNKQQGSKCTDHF-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.14
Rot. Bonds3

About methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde

methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde (PubChem CID 142404319) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Namemethanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde
PubChem CID142404319
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namemethanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde
SMILESCO.O=Cc1cccc(Cn2ccnn2)n1
InChIInChI=1S/C9H8N4O.CH4O/c14-7-9-3-1-2-8(11-9)6-13-5-4-10-12-13;1-2/h1-5,7H,6H2;2H,1H3
InChIKeyQLNKQQGSKCTDHF-UHFFFAOYSA-N
XLogP0.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
The IUPAC name of methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde (CID 142404319) is methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
The canonical SMILES for methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde is CO.O=Cc1cccc(Cn2ccnn2)n1.
What is the InChIKey of methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
The InChIKey is QLNKQQGSKCTDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O.CH4O/c14-7-9-3-1-2-8(11-9)6-13-5-4-10-12-13;1-2/h1-5,7H,6H2;2H,1H3.
What are the key properties of methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde?
methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde has a molecular weight of 220.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;6-(triazol-1-ylmethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 142404319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).