N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide

C10H15N5O2 — CID 112733895

IUPACN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H15N5O2/c1-7(6-15-4-2-3-9(15)16)12-10(17)8-5-11-14-13-8/h5,7H,2-4,6H2,1H3,(H,12,17)(H,11,13,14)
InChIKeyLLVJOJLMYQOKOZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.45
Rot. Bonds4

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

N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide (PubChem CID 112733895) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
PubChem CID112733895
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H15N5O2/c1-7(6-15-4-2-3-9(15)16)12-10(17)8-5-11-14-13-8/h5,7H,2-4,6H2,1H3,(H,12,17)(H,11,13,14)
InChIKeyLLVJOJLMYQOKOZ-UHFFFAOYSA-N
XLogP-0.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 54867695
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 62808619
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
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
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide (CID 112733895) is N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide is CC(CN1CCCC1=O)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is LLVJOJLMYQOKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7(6-15-4-2-3-9(15)16)12-10(17)8-5-11-14-13-8/h5,7H,2-4,6H2,1H3,(H,12,17)(H,11,13,14).
What are the key properties of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide?
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).