N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide

C17H23N5O — CID 119574467

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
SMILESCc1c(CC(=O)NC(C)(CN)C2CC2)nnn1-c1ccccc1
InChIInChI=1S/C17H23N5O/c1-12-15(20-21-22(12)14-6-4-3-5-7-14)10-16(23)19-17(2,11-18)13-8-9-13/h3-7,13H,8-11,18H2,1-2H3,(H,19,23)
InChIKeyTWOOKXYCMDFANM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.36
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide (PubChem CID 119574467) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
PubChem CID119574467
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
SMILESCc1c(CC(=O)NC(C)(CN)C2CC2)nnn1-c1ccccc1
InChIInChI=1S/C17H23N5O/c1-12-15(20-21-22(12)14-6-4-3-5-7-14)10-16(23)19-17(2,11-18)13-8-9-13/h3-7,13H,8-11,18H2,1-2H3,(H,19,23)
InChIKeyTWOOKXYCMDFANM-UHFFFAOYSA-N
XLogP1.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
CID 119192183
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-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 119572218
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
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119573908
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide (CID 119574467) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide is Cc1c(CC(=O)NC(C)(CN)C2CC2)nnn1-c1ccccc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
The InChIKey is TWOOKXYCMDFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-15(20-21-22(12)14-6-4-3-5-7-14)10-16(23)19-17(2,11-18)13-8-9-13/h3-7,13H,8-11,18H2,1-2H3,(H,19,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 119574467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).