N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C13H19N5O2 — CID 97349552

IUPACN-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESC[C@H](CCc1cccn1C)NC(=O)Cn1cn[nH]c1=O
InChIInChI=1S/C13H19N5O2/c1-10(5-6-11-4-3-7-17(11)2)15-12(19)8-18-9-14-16-13(18)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,19)(H,16,20)/t10-/m1/s1
InChIKeyJSGKSCWMAMVWOY-SNVBAGLBSA-N
MW277.33 g/mol
LogP0.05
Rot. Bonds6

About N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 97349552) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID97349552
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESC[C@H](CCc1cccn1C)NC(=O)Cn1cn[nH]c1=O
InChIInChI=1S/C13H19N5O2/c1-10(5-6-11-4-3-7-17(11)2)15-12(19)8-18-9-14-16-13(18)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,19)(H,16,20)/t10-/m1/s1
InChIKeyJSGKSCWMAMVWOY-SNVBAGLBSA-N
XLogP0.05
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 75476450
1-(2-hydroxyethyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111474130
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
CID 95777440
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 124592494
4-(3-fluorophenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]butanamide
CID 95777428
2-hydroxy-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 110014787
cis-(1S,2R)-2-[[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132467
3-bromo-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 124592923
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
CID 95777426
1-(4-hydroxy-2-methylpentyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111508300
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 97349552) is N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is C[C@H](CCc1cccn1C)NC(=O)Cn1cn[nH]c1=O.
What is the InChIKey of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is JSGKSCWMAMVWOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-10(5-6-11-4-3-7-17(11)2)15-12(19)8-18-9-14-16-13(18)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,19)(H,16,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 277.33 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 97349552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).