N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

C15H22ClN5O — CID 119432306

IUPACN-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCNCCCNC(=O)Cc1nnn(-c2ccccc2)c1C.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-12-14(11-15(21)17-10-6-9-16-2)18-19-20(12)13-7-4-3-5-8-13;/h3-5,7-8,16H,6,9-11H2,1-2H3,(H,17,21);1H
InChIKeyAXVDRKIKJYJKGT-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.27
Rot. Bonds7

About N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (PubChem CID 119432306) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
PubChem CID119432306
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC NameN-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCNCCCNC(=O)Cc1nnn(-c2ccccc2)c1C.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-12-14(11-15(21)17-10-6-9-16-2)18-19-20(12)13-7-4-3-5-8-13;/h3-5,7-8,16H,6,9-11H2,1-2H3,(H,17,21);1H
InChIKeyAXVDRKIKJYJKGT-UHFFFAOYSA-N
XLogP1.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 120831900
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
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
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
CID 119192183
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
cis-(1S,3R)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676507
cis-(1R,3S)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678634
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (CID 119432306) is N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is CNCCCNC(=O)Cc1nnn(-c2ccccc2)c1C.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The InChIKey is AXVDRKIKJYJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-12-14(11-15(21)17-10-6-9-16-2)18-19-20(12)13-7-4-3-5-8-13;/h3-5,7-8,16H,6,9-11H2,1-2H3,(H,17,21);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119432306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).