(8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride

C12H19ClN4O3 — CID 21155337

IUPAC(8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride
SMILESCOc1ccc2c(c1)cc1n2CCN=C1NN.Cl.O.O
InChIInChI=1S/C12H14N4O.ClH.2H2O/c1-17-9-2-3-10-8(6-9)7-11-12(15-13)14-4-5-16(10)11;;;/h2-3,6-7H,4-5,13H2,1H3,(H,14,15);1H;2*1H2
InChIKeyQCAJXDSXHJAPPH-UHFFFAOYSA-N
MW302.76 g/mol
LogP-0.35
Rot. Bonds1

About (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride

(8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride (PubChem CID 21155337) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride
PubChem CID21155337
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name(8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride
SMILESCOc1ccc2c(c1)cc1n2CCN=C1NN.Cl.O.O
InChIInChI=1S/C12H14N4O.ClH.2H2O/c1-17-9-2-3-10-8(6-9)7-11-12(15-13)14-4-5-16(10)11;;;/h2-3,6-7H,4-5,13H2,1H3,(H,14,15);1H;2*1H2
InChIKeyQCAJXDSXHJAPPH-UHFFFAOYSA-N
XLogP-0.35
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride?
The IUPAC name of (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride (CID 21155337) is (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride.
What is the SMILES notation for (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride?
The canonical SMILES for (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride is COc1ccc2c(c1)cc1n2CCN=C1NN.Cl.O.O.
What is the InChIKey of (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride?
The InChIKey is QCAJXDSXHJAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH.2H2O/c1-17-9-2-3-10-8(6-9)7-11-12(15-13)14-4-5-16(10)11;;;/h2-3,6-7H,4-5,13H2,1H3,(H,14,15);1H;2*1H2.
What are the key properties of (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride?
(8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydropyrazino[1,2-a]indol-1-yl)hydrazine;dihydrate;hydrochloride is sourced from PubChem (CID 21155337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).