2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde

C9H9N3O — CID 83874365

IUPAC2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde
SMILESCc1nnc2ccc(CC=O)cn12
InChIInChI=1S/C9H9N3O/c1-7-10-11-9-3-2-8(4-5-13)6-12(7)9/h2-3,5-6H,4H2,1H3
InChIKeyPWIBBPLLGGDAPC-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.78
Rot. Bonds2

About 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde

2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde (PubChem CID 83874365) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde
PubChem CID83874365
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde
SMILESCc1nnc2ccc(CC=O)cn12
InChIInChI=1S/C9H9N3O/c1-7-10-11-9-3-2-8(4-5-13)6-12(7)9/h2-3,5-6H,4H2,1H3
InChIKeyPWIBBPLLGGDAPC-UHFFFAOYSA-N
XLogP0.78
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate
CID 172581583
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
CID 166537867
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
CID 54198783
5-[(4-methoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173246
2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
CID 119135797
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-thiomorpholin-4-ylmethanone
CID 97211527
1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014321
5-[(4-ethoxyphenyl)methyl]-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173239
6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 143183374
1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014329
N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 83866634
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210810

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde?
The IUPAC name of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde (CID 83874365) is 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde?
The canonical SMILES for 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde is Cc1nnc2ccc(CC=O)cn12.
What is the InChIKey of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde?
The InChIKey is PWIBBPLLGGDAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-10-11-9-3-2-8(4-5-13)6-12(7)9/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde?
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde has a molecular weight of 175.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde is sourced from PubChem (CID 83874365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).