N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide

C11H19N5O2 — CID 136642289

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)NCc1n[nH]c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C11H19N5O2/c1-2-8(16-5-3-4-6-16)10(17)12-7-9-13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyFOHVIEXHASBKQV-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.41
Rot. Bonds5

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide (PubChem CID 136642289) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide
PubChem CID136642289
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)NCc1n[nH]c(=O)[nH]1)N1CCCC1
InChIInChI=1S/C11H19N5O2/c1-2-8(16-5-3-4-6-16)10(17)12-7-9-13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyFOHVIEXHASBKQV-UHFFFAOYSA-N
XLogP-0.41
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide (CID 136642289) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide is CCC(C(=O)NCc1n[nH]c(=O)[nH]1)N1CCCC1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
The InChIKey is FOHVIEXHASBKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-8(16-5-3-4-6-16)10(17)12-7-9-13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide has a molecular weight of 253.31 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 136642289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).