N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

C15H22ClN5O — CID 120831900

IUPACN-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1nnn(-c2ccccc2)c1C.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-11(16-3)10-17-15(21)9-14-12(2)20(19-18-14)13-7-5-4-6-8-13;/h4-8,11,16H,9-10H2,1-3H3,(H,17,21);1H
InChIKeySWBNBOAMHCBUTI-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (PubChem CID 120831900) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
PubChem CID120831900
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC NameN-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1nnn(-c2ccccc2)c1C.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-11(16-3)10-17-15(21)9-14-12(2)20(19-18-14)13-7-5-4-6-8-13;/h4-8,11,16H,9-10H2,1-3H3,(H,17,21);1H
InChIKeySWBNBOAMHCBUTI-UHFFFAOYSA-N
XLogP1.26
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride 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

N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728
2-(2,3-dimethylphenyl)-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]acetic acid
CID 167774852
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
CID 119192183
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (CID 120831900) is N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is CNC(C)CNC(=O)Cc1nnn(-c2ccccc2)c1C.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The InChIKey is SWBNBOAMHCBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-11(16-3)10-17-15(21)9-14-12(2)20(19-18-14)13-7-5-4-6-8-13;/h4-8,11,16H,9-10H2,1-3H3,(H,17,21);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120831900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).