4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide

C9H14N4O2 — CID 66214983

IUPAC4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cc(C=O)nn1
InChIInChI=1S/C9H14N4O2/c1-12(2)9(15)4-3-5-13-6-8(7-14)10-11-13/h6-7H,3-5H2,1-2H3
InChIKeyGOHYBZGMADEUDQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.04
Rot. Bonds5

About 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide

4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide (PubChem CID 66214983) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide
PubChem CID66214983
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cc(C=O)nn1
InChIInChI=1S/C9H14N4O2/c1-12(2)9(15)4-3-5-13-6-8(7-14)10-11-13/h6-7H,3-5H2,1-2H3
InChIKeyGOHYBZGMADEUDQ-UHFFFAOYSA-N
XLogP-0.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexyltriazole-4-carbaldehyde
CID 66213783
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
5-[1-[4-(dimethylamino)-4-oxobutyl]triazol-4-yl]pentanoic acid
CID 104538857
3-[2-(4-formyltriazol-1-yl)ethylsulfonyl]propanamide
CID 66216596
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
1-(2-ethoxyethyl)triazole-4-carbaldehyde
CID 66215370
1-(3-methoxy-3-methylbutyl)triazole-4-carbaldehyde
CID 103018728
N-cyclohexyl-3-(4-formyltriazol-1-yl)propanamide
CID 66215181
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
1-(2-hydroxybutyl)triazole-4-carbaldehyde
CID 66216382
2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 66214992

Frequently Asked Questions

What is the IUPAC name of 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide (CID 66214983) is 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1cc(C=O)nn1.
What is the InChIKey of 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide?
The InChIKey is GOHYBZGMADEUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12(2)9(15)4-3-5-13-6-8(7-14)10-11-13/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide?
4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide has a molecular weight of 210.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyltriazol-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 66214983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).