(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium

C10H15N4O2+ — CID 123146193

IUPAC(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium
SMILESCC[N+](=O)c1cc2n(n1)CCN(C(C)=O)C2
InChIInChI=1S/C10H15N4O2/c1-3-14(16)10-6-9-7-12(8(2)15)4-5-13(9)11-10/h6H,3-5,7H2,1-2H3/q+1
InChIKeyVILVEQWCFBJIOO-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.68
Rot. Bonds2

About (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium

(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium (PubChem CID 123146193) has the molecular formula C10H15N4O2+ and a molecular weight of 223.26 g/mol. Its IUPAC name is (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium.

Molecular Properties

Compound Name(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium
PubChem CID123146193
Molecular FormulaC10H15N4O2+
Molecular Weight223.26 g/mol
Exact Mass223.12
IUPAC Name(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium
SMILESCC[N+](=O)c1cc2n(n1)CCN(C(C)=O)C2
InChIInChI=1S/C10H15N4O2/c1-3-14(16)10-6-9-7-12(8(2)15)4-5-13(9)11-10/h6H,3-5,7H2,1-2H3/q+1
InChIKeyVILVEQWCFBJIOO-UHFFFAOYSA-N
XLogP0.68
TPSA58.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium?
The IUPAC name of (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium (CID 123146193) is (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium.
What is the SMILES notation for (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium?
The canonical SMILES for (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium is CC[N+](=O)c1cc2n(n1)CCN(C(C)=O)C2.
What is the InChIKey of (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium?
The InChIKey is VILVEQWCFBJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N4O2/c1-3-14(16)10-6-9-7-12(8(2)15)4-5-13(9)11-10/h6H,3-5,7H2,1-2H3/q+1.
What are the key properties of (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium?
(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium has a molecular weight of 223.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium is sourced from PubChem (CID 123146193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).