N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide

C15H18N4O2 — CID 82199338

IUPACN-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C=O)c2CC(C)C)c1
InChIInChI=1S/C15H18N4O2/c1-10(2)7-15-14(9-20)17-18-19(15)13-6-4-5-12(8-13)16-11(3)21/h4-6,8-10H,7H2,1-3H3,(H,16,21)
InChIKeyFEMXOTPBYIZMGY-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.24
Rot. Bonds5

About N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide

N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide (PubChem CID 82199338) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
PubChem CID82199338
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C=O)c2CC(C)C)c1
InChIInChI=1S/C15H18N4O2/c1-10(2)7-15-14(9-20)17-18-19(15)13-6-4-5-12(8-13)16-11(3)21/h4-6,8-10H,7H2,1-3H3,(H,16,21)
InChIKeyFEMXOTPBYIZMGY-UHFFFAOYSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide
CID 94938971
1-(4-ethylphenyl)-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 82198380
methyl 3-(5-ethyl-4-formyltriazol-1-yl)benzoate
CID 82200544
5-(2-methylpropyl)-1-naphthalen-1-yltriazole-4-carbaldehyde
CID 82199745
5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carbaldehyde
CID 82198022
3-(5-benzyl-4-formyltriazol-1-yl)benzoic acid
CID 94937809
3-(3-acetamidophenyl)triazole-4-carboxylic acid
CID 82201554
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46572602
N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
CID 94938963

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide (CID 82199338) is N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnc(C=O)c2CC(C)C)c1.
What is the InChIKey of N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide?
The InChIKey is FEMXOTPBYIZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(2)7-15-14(9-20)17-18-19(15)13-6-4-5-12(8-13)16-11(3)21/h4-6,8-10H,7H2,1-3H3,(H,16,21).
What are the key properties of N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide?
N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 82199338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).