8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C16H15N3O2 — CID 83965801

IUPAC8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1ccc(OCc2nc3c(C)cc(C=O)cn3n2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)21-10-15-17-16-12(2)7-13(9-20)8-19(16)18-15/h3-9H,10H2,1-2H3
InChIKeyOLBXKGNDZVRVLZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.74
Rot. Bonds4

About 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 83965801) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID83965801
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1ccc(OCc2nc3c(C)cc(C=O)cn3n2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)21-10-15-17-16-12(2)7-13(9-20)8-19(16)18-15/h3-9H,10H2,1-2H3
InChIKeyOLBXKGNDZVRVLZ-UHFFFAOYSA-N
XLogP2.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.74
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

methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966615
2-[(3,4-dimethylphenoxy)methyl]pyrimidine-5-carbaldehyde
CID 99976309
15-[(4-methylphenoxy)methyl]-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene
CID 1149370
4-[(3,5-dimethylpyrazol-1-yl)methoxy]benzaldehyde
CID 19618615
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
9-(4-methoxyphenyl)-13-[(4-methylphenoxy)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 3322250
[2-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82475269
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
CID 80638223
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 83965801) is 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1ccc(OCc2nc3c(C)cc(C=O)cn3n2)cc1.
What is the InChIKey of 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is OLBXKGNDZVRVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)21-10-15-17-16-12(2)7-13(9-20)8-19(16)18-15/h3-9H,10H2,1-2H3.
What are the key properties of 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83965801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).