N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide

C12H19N5O2 — CID 45189317

IUPACN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCN1CC(NC(=O)CCCn2cncn2)CC1=O
InChIInChI=1S/C12H19N5O2/c1-2-16-7-10(6-12(16)19)15-11(18)4-3-5-17-9-13-8-14-17/h8-10H,2-7H2,1H3,(H,15,18)
InChIKeyTXEBRQZXWMKNPA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.20
Rot. Bonds6

About N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide

N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 45189317) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID45189317
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCN1CC(NC(=O)CCCn2cncn2)CC1=O
InChIInChI=1S/C12H19N5O2/c1-2-16-7-10(6-12(16)19)15-11(18)4-3-5-17-9-13-8-14-17/h8-10H,2-7H2,1H3,(H,15,18)
InChIKeyTXEBRQZXWMKNPA-UHFFFAOYSA-N
XLogP-0.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide (CID 45189317) is N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide is CCN1CC(NC(=O)CCCn2cncn2)CC1=O.
What is the InChIKey of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is TXEBRQZXWMKNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-16-7-10(6-12(16)19)15-11(18)4-3-5-17-9-13-8-14-17/h8-10H,2-7H2,1H3,(H,15,18).
What are the key properties of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 265.32 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 45189317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).