N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide

C11H15N5O2 — CID 95985223

IUPACN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)nn1
InChIInChI=1S/C11H15N5O2/c1-15-6-9(13-14-15)11(18)12-7-4-10(17)16(5-7)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,18)/t7-/m0/s1
InChIKeyIJKAMMNFJFHBBN-ZETCQYMHSA-N
MW249.27 g/mol
LogP-0.69
Rot. Bonds3

About N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide (PubChem CID 95985223) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide
PubChem CID95985223
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)nn1
InChIInChI=1S/C11H15N5O2/c1-15-6-9(13-14-15)11(18)12-7-4-10(17)16(5-7)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,18)/t7-/m0/s1
InChIKeyIJKAMMNFJFHBBN-ZETCQYMHSA-N
XLogP-0.69
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 138992055
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
CID 129416200
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 25381252
1-(2-aminopropyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyrazole-4-carboxamide
CID 167870282
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 95969243
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 25446356

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide (CID 95985223) is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)nn1.
What is the InChIKey of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide?
The InChIKey is IJKAMMNFJFHBBN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15-6-9(13-14-15)11(18)12-7-4-10(17)16(5-7)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,18)/t7-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide?
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 95985223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).