7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde

C8H7N3O2 — CID 105436739

IUPAC7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
SMILESCOc1ccn2c(C=O)nnc2c1
InChIInChI=1S/C8H7N3O2/c1-13-6-2-3-11-7(4-6)9-10-8(11)5-12/h2-5H,1H3
InChIKeyVQVCBJPAOKIDFO-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.55
Rot. Bonds2

About 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde

7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde (PubChem CID 105436739) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
PubChem CID105436739
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
SMILESCOc1ccn2c(C=O)nnc2c1
InChIInChI=1S/C8H7N3O2/c1-13-6-2-3-11-7(4-6)9-10-8(11)5-12/h2-5H,1H3
InChIKeyVQVCBJPAOKIDFO-UHFFFAOYSA-N
XLogP0.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde
CID 84708360
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105459905
7-methoxy-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143112
7-methoxy-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143138
3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117143156
7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 105432579
7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142917
7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143174
7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142983
7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037
7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142935
5-methoxypyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 83481877

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde?
The IUPAC name of 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde (CID 105436739) is 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde?
The canonical SMILES for 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde is COc1ccn2c(C=O)nnc2c1.
What is the InChIKey of 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde?
The InChIKey is VQVCBJPAOKIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-6-2-3-11-7(4-6)9-10-8(11)5-12/h2-5H,1H3.
What are the key properties of 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde?
7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde has a molecular weight of 177.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 105436739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).