2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C12H14N4O2 — CID 91890120

IUPAC2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C12H14N4O2/c13-10(17)7-15-5-6-16-11(12(15)18)8-3-1-2-4-9(8)14-16/h5-6H,1-4,7H2,(H2,13,17)
InChIKeyUANSBKGQTYWMNK-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.14
Rot. Bonds2

About 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890120) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890120
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C12H14N4O2/c13-10(17)7-15-5-6-16-11(12(15)18)8-3-1-2-4-9(8)14-16/h5-6H,1-4,7H2,(H2,13,17)
InChIKeyUANSBKGQTYWMNK-UHFFFAOYSA-N
XLogP-0.14
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890120) is 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is UANSBKGQTYWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-10(17)7-15-5-6-16-11(12(15)18)8-3-1-2-4-9(8)14-16/h5-6H,1-4,7H2,(H2,13,17).
What are the key properties of 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).