1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea

C10H16N6O2 — CID 108876959

IUPAC1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea
SMILESCC(C)N1CC(NC(=O)Nc2ncn[nH]2)CC1=O
InChIInChI=1S/C10H16N6O2/c1-6(2)16-4-7(3-8(16)17)13-10(18)14-9-11-5-12-15-9/h5-7H,3-4H2,1-2H3,(H3,11,12,13,14,15,18)
InChIKeyYGZNHJWRJOHMAB-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.06
Rot. Bonds3

About 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea

1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea (PubChem CID 108876959) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea
PubChem CID108876959
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea
SMILESCC(C)N1CC(NC(=O)Nc2ncn[nH]2)CC1=O
InChIInChI=1S/C10H16N6O2/c1-6(2)16-4-7(3-8(16)17)13-10(18)14-9-11-5-12-15-9/h5-7H,3-4H2,1-2H3,(H3,11,12,13,14,15,18)
InChIKeyYGZNHJWRJOHMAB-UHFFFAOYSA-N
XLogP-0.06
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876978
1-(2-chloro-3-pyridinyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876870
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
1-(2-hydroxy-5-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876889
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
CID 50964020
1-(2-chloro-4,6-dimethylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877007
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-(2-bromo-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877024
1-(2-chloroethyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876829
1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877028
1-(1,3-benzodioxol-5-yl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876996

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea?
The IUPAC name of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea (CID 108876959) is 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea.
What is the SMILES notation for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea?
The canonical SMILES for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea is CC(C)N1CC(NC(=O)Nc2ncn[nH]2)CC1=O.
What is the InChIKey of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea?
The InChIKey is YGZNHJWRJOHMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-6(2)16-4-7(3-8(16)17)13-10(18)14-9-11-5-12-15-9/h5-7H,3-4H2,1-2H3,(H3,11,12,13,14,15,18).
What are the key properties of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea?
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea has a molecular weight of 252.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(1H-1,2,4-triazol-5-yl)urea is sourced from PubChem (CID 108876959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).