9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole

C11H17N3 — CID 91812066

IUPAC9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
SMILESCC1CCc2nn3c(c2C1)CNCC3
InChIInChI=1S/C11H17N3/c1-8-2-3-10-9(6-8)11-7-12-4-5-14(11)13-10/h8,12H,2-7H2,1H3
InChIKeyQJEZKXGMOHVRJD-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.11
Rot. Bonds

About 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole

9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole (PubChem CID 91812066) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
PubChem CID91812066
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
SMILESCC1CCc2nn3c(c2C1)CNCC3
InChIInChI=1S/C11H17N3/c1-8-2-3-10-9(6-8)11-7-12-4-5-14(11)13-10/h8,12H,2-7H2,1H3
InChIKeyQJEZKXGMOHVRJD-UHFFFAOYSA-N
XLogP1.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
The IUPAC name of 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole (CID 91812066) is 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole.
What is the SMILES notation for 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
The canonical SMILES for 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole is CC1CCc2nn3c(c2C1)CNCC3.
What is the InChIKey of 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
The InChIKey is QJEZKXGMOHVRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-2-3-10-9(6-8)11-7-12-4-5-14(11)13-10/h8,12H,2-7H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole has a molecular weight of 191.28 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole is sourced from PubChem (CID 91812066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).