N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide

C10H17N5O2 — CID 112520034

IUPACN-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NC(C)C)nn1
InChIInChI=1S/C10H17N5O2/c1-4-9(16)12-8-5-15(14-13-8)6-10(17)11-7(2)3/h5,7H,4,6H2,1-3H3,(H,11,17)(H,12,16)
InChIKeyUMRBRVPYRQLLFK-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.15
Rot. Bonds5

About N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide

N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide (PubChem CID 112520034) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
PubChem CID112520034
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NC(C)C)nn1
InChIInChI=1S/C10H17N5O2/c1-4-9(16)12-8-5-15(14-13-8)6-10(17)11-7(2)3/h5,7H,4,6H2,1-3H3,(H,11,17)(H,12,16)
InChIKeyUMRBRVPYRQLLFK-UHFFFAOYSA-N
XLogP0.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103642859
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112528702
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522137
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112527931
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide (CID 112520034) is N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)NC(C)C)nn1.
What is the InChIKey of N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide?
The InChIKey is UMRBRVPYRQLLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-9(16)12-8-5-15(14-13-8)6-10(17)11-7(2)3/h5,7H,4,6H2,1-3H3,(H,11,17)(H,12,16).
What are the key properties of N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide?
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide has a molecular weight of 239.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112520034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).