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

C18H26N4O2 — CID 91890110

IUPACN-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCCCCN(CC)C(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C18H26N4O2/c1-3-5-10-20(4-2)16(23)13-21-11-12-22-17(18(21)24)14-8-6-7-9-15(14)19-22/h11-12H,3-10,13H2,1-2H3
InChIKeyWPWDDMRRBKMIKP-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.02
Rot. Bonds6

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

N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890110) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890110
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCCCCN(CC)C(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C18H26N4O2/c1-3-5-10-20(4-2)16(23)13-21-11-12-22-17(18(21)24)14-8-6-7-9-15(14)19-22/h11-12H,3-10,13H2,1-2H3
InChIKeyWPWDDMRRBKMIKP-UHFFFAOYSA-N
XLogP2.02
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890110) is N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is CCCCN(CC)C(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is WPWDDMRRBKMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-5-10-20(4-2)16(23)13-21-11-12-22-17(18(21)24)14-8-6-7-9-15(14)19-22/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).