2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C14H21Cl2N5O — CID 120669775

IUPAC2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCCn1cnnc1CNC(=O)C(N)c1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-3-19-9-17-18-12(19)8-16-14(20)13(15)11-6-4-10(2)5-7-11;;/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,20);2*1H
InChIKeyRJFLUJQJBMUNJY-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.77
Rot. Bonds5

About 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669775) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669775
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC Name2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCCn1cnnc1CNC(=O)C(N)c1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-3-19-9-17-18-12(19)8-16-14(20)13(15)11-6-4-10(2)5-7-11;;/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,20);2*1H
InChIKeyRJFLUJQJBMUNJY-UHFFFAOYSA-N
XLogP1.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride 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

2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106151661
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106302463
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 94026406
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119855013
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 103777529
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 119878813
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669775) is 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride is CCn1cnnc1CNC(=O)C(N)c1ccc(C)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is RJFLUJQJBMUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-3-19-9-17-18-12(19)8-16-14(20)13(15)11-6-4-10(2)5-7-11;;/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,20);2*1H.
What are the key properties of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).