N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide

C15H21N5O — CID 119497704

IUPACN-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
SMILESCc1c(CC(=O)NCCC(C)N)nnn1-c1ccccc1
InChIInChI=1S/C15H21N5O/c1-11(16)8-9-17-15(21)10-14-12(2)20(19-18-14)13-6-4-3-5-7-13/h3-7,11H,8-10,16H2,1-2H3,(H,17,21)
InChIKeyWNCHNUYQCKLQSH-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.97
Rot. Bonds6

About N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide

N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide (PubChem CID 119497704) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
PubChem CID119497704
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
SMILESCc1c(CC(=O)NCCC(C)N)nnn1-c1ccccc1
InChIInChI=1S/C15H21N5O/c1-11(16)8-9-17-15(21)10-14-12(2)20(19-18-14)13-6-4-3-5-7-13/h3-7,11H,8-10,16H2,1-2H3,(H,17,21)
InChIKeyWNCHNUYQCKLQSH-UHFFFAOYSA-N
XLogP0.97
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
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
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
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
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
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-(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-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide (CID 119497704) is N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide is Cc1c(CC(=O)NCCC(C)N)nnn1-c1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
The InChIKey is WNCHNUYQCKLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(16)8-9-17-15(21)10-14-12(2)20(19-18-14)13-6-4-3-5-7-13/h3-7,11H,8-10,16H2,1-2H3,(H,17,21).
What are the key properties of N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 119497704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).