2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C14H19N5O — CID 80556223

IUPAC2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H19N5O/c1-14(2,10-4-6-11(15)7-5-10)13(20)19(3)8-12-16-9-17-18-12/h4-7,9H,8,15H2,1-3H3,(H,16,17,18)
InChIKeyILCZJPRIWWHXPO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 80556223) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID80556223
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H19N5O/c1-14(2,10-4-6-11(15)7-5-10)13(20)19(3)8-12-16-9-17-18-12/h4-7,9H,8,15H2,1-3H3,(H,16,17,18)
InChIKeyILCZJPRIWWHXPO-UHFFFAOYSA-N
XLogP1.32
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511690
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 80556223) is 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is ILCZJPRIWWHXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,10-4-6-11(15)7-5-10)13(20)19(3)8-12-16-9-17-18-12/h4-7,9H,8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 80556223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).