N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide

C14H19N5O — CID 61346705

IUPACN-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
SMILESCc1nc(C)n(CCCC(=O)Nc2ccccc2N)n1
InChIInChI=1S/C14H19N5O/c1-10-16-11(2)19(18-10)9-5-8-14(20)17-13-7-4-3-6-12(13)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,17,20)
InChIKeyUTHODUYMWSIKQB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds5

About N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide

N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide (PubChem CID 61346705) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
PubChem CID61346705
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
SMILESCc1nc(C)n(CCCC(=O)Nc2ccccc2N)n1
InChIInChI=1S/C14H19N5O/c1-10-16-11(2)19(18-10)9-5-8-14(20)17-13-7-4-3-6-12(13)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,17,20)
InChIKeyUTHODUYMWSIKQB-UHFFFAOYSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
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N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
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N-(2-aminophenyl)-5-methoxypentanamide
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N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
N-[3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylcarbamoylamino]-2-methylphenyl]-2-methoxyacetamide
CID 118783002
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide (CID 61346705) is N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide is Cc1nc(C)n(CCCC(=O)Nc2ccccc2N)n1.
What is the InChIKey of N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
The InChIKey is UTHODUYMWSIKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-16-11(2)19(18-10)9-5-8-14(20)17-13-7-4-3-6-12(13)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,17,20).
What are the key properties of N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide?
N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 61346705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).