N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide

C11H18N6O2 — CID 54923886

IUPACN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CC(N)=O)C1CCNC1)n1cncn1
InChIInChI=1S/C11H18N6O2/c1-8(17-7-14-6-15-17)11(19)16(5-10(12)18)9-2-3-13-4-9/h6-9,13H,2-5H2,1H3,(H2,12,18)
InChIKeyCKEALACFGRZKLL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.49
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide

N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 54923886) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID54923886
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CC(N)=O)C1CCNC1)n1cncn1
InChIInChI=1S/C11H18N6O2/c1-8(17-7-14-6-15-17)11(19)16(5-10(12)18)9-2-3-13-4-9/h6-9,13H,2-5H2,1H3,(H2,12,18)
InChIKeyCKEALACFGRZKLL-UHFFFAOYSA-N
XLogP-1.49
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide
CID 60807791
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106627060
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106629632
2-[(1,1-dioxothiolan-3-yl)-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 60845736
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117362
N-ethyl-N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 60807405
N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
CID 66122670
N-(2-amino-2-oxoethyl)-N-piperidin-3-yl-2-propylpentanamide
CID 82985484
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 81445402
N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 60800702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 54923886) is N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(CC(N)=O)C1CCNC1)n1cncn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CKEALACFGRZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-8(17-7-14-6-15-17)11(19)16(5-10(12)18)9-2-3-13-4-9/h6-9,13H,2-5H2,1H3,(H2,12,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 266.30 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 54923886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).