N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

C14H20ClN5O — CID 119407316

IUPACN-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCc1c(CC(=O)NCCCN)nnn1-c1ccccc1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-11-13(10-14(20)16-9-5-8-15)17-18-19(11)12-6-3-2-4-7-12;/h2-4,6-7H,5,8-10,15H2,1H3,(H,16,20);1H
InChIKeyCZIWKLUSINMTCH-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.01
Rot. Bonds6

About N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (PubChem CID 119407316) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
PubChem CID119407316
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCc1c(CC(=O)NCCCN)nnn1-c1ccccc1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-11-13(10-14(20)16-9-5-8-15)17-18-19(11)12-6-3-2-4-7-12;/h2-4,6-7H,5,8-10,15H2,1H3,(H,16,20);1H
InChIKeyCZIWKLUSINMTCH-UHFFFAOYSA-N
XLogP1.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.01
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-(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-[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
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119574467
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728
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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (CID 119407316) is N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is Cc1c(CC(=O)NCCCN)nnn1-c1ccccc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The InChIKey is CZIWKLUSINMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-11-13(10-14(20)16-9-5-8-15)17-18-19(11)12-6-3-2-4-7-12;/h2-4,6-7H,5,8-10,15H2,1H3,(H,16,20);1H.
What are the key properties of N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119407316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).