2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C19H21N3O — CID 91890118

IUPAC2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCc1ccc(C)c(Cn2ccn3nc4c(c3c2=O)CCCC4)c1
InChIInChI=1S/C19H21N3O/c1-13-7-8-14(2)15(11-13)12-21-9-10-22-18(19(21)23)16-5-3-4-6-17(16)20-22/h7-11H,3-6,12H2,1-2H3
InChIKeyYNYSEFSRWBEHLQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.04
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91890118) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91890118
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCc1ccc(C)c(Cn2ccn3nc4c(c3c2=O)CCCC4)c1
InChIInChI=1S/C19H21N3O/c1-13-7-8-14(2)15(11-13)12-21-9-10-22-18(19(21)23)16-5-3-4-6-17(16)20-22/h7-11H,3-6,12H2,1-2H3
InChIKeyYNYSEFSRWBEHLQ-UHFFFAOYSA-N
XLogP3.04
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91890118) is 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is Cc1ccc(C)c(Cn2ccn3nc4c(c3c2=O)CCCC4)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is YNYSEFSRWBEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-7-8-14(2)15(11-13)12-21-9-10-22-18(19(21)23)16-5-3-4-6-17(16)20-22/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91890118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).