1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde

C15H19N3O2 — CID 82200668

IUPAC1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde
SMILESCOc1ccc(C)cc1-n1nnc(C=O)c1CC(C)C
InChIInChI=1S/C15H19N3O2/c1-10(2)7-13-12(9-19)16-17-18(13)14-8-11(3)5-6-15(14)20-4/h5-6,8-10H,7H2,1-4H3
InChIKeyHQXORJWKQDDHTE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde

1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde (PubChem CID 82200668) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde
PubChem CID82200668
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde
SMILESCOc1ccc(C)cc1-n1nnc(C=O)c1CC(C)C
InChIInChI=1S/C15H19N3O2/c1-10(2)7-13-12(9-19)16-17-18(13)14-8-11(3)5-6-15(14)20-4/h5-6,8-10H,7H2,1-4H3
InChIKeyHQXORJWKQDDHTE-UHFFFAOYSA-N
XLogP2.60
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
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

[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
1-(5-chloro-2-methoxyphenyl)-5-ethyltriazole-4-carbaldehyde
CID 82198930
5-(2-methylpropyl)-1-naphthalen-1-yltriazole-4-carbaldehyde
CID 82199745
5-butyl-1-(2,5-dimethylphenyl)triazole-4-carbaldehyde
CID 82195790
1-(2-methoxy-5-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82200655
1-(4-ethylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 82198380
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 2608905
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
CID 8897883
5-[(3,4-dimethoxyphenyl)methyl]-1-(3-methylbutyl)triazole-4-carbaldehyde
CID 94944762
5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carbaldehyde
CID 82198022

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde (CID 82200668) is 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde is COc1ccc(C)cc1-n1nnc(C=O)c1CC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde?
The InChIKey is HQXORJWKQDDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)7-13-12(9-19)16-17-18(13)14-8-11(3)5-6-15(14)20-4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde?
1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82200668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).