3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide

C10H16N6O2 — CID 62808619

IUPAC3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H16N6O2/c1-6(5-16-4-2-3-7(16)17)12-9(18)8-13-10(11)15-14-8/h6H,2-5H2,1H3,(H,12,18)(H3,11,13,14,15)
InChIKeyONCBRWTUWLRYII-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.87
Rot. Bonds4

About 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808619) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808619
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H16N6O2/c1-6(5-16-4-2-3-7(16)17)12-9(18)8-13-10(11)15-14-8/h6H,2-5H2,1H3,(H,12,18)(H3,11,13,14,15)
InChIKeyONCBRWTUWLRYII-UHFFFAOYSA-N
XLogP-0.87
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 54867695
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 112733895
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 61102795
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
CID 107496824
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 62808619) is 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide is CC(CN1CCCC1=O)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ONCBRWTUWLRYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-6(5-16-4-2-3-7(16)17)12-9(18)8-13-10(11)15-14-8/h6H,2-5H2,1H3,(H,12,18)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).