isoquinoline-5,8-diamine;hydrochloride

C9H10ClN3 — CID 75525603

IUPACisoquinoline-5,8-diamine;hydrochloride
SMILESCl.Nc1ccc(N)c2cnccc12
InChIInChI=1S/C9H9N3.ClH/c10-8-1-2-9(11)7-5-12-4-3-6(7)8;/h1-5H,10-11H2;1H
InChIKeyZUCDQUDHIYZION-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.82
Rot. Bonds

About isoquinoline-5,8-diamine;hydrochloride

isoquinoline-5,8-diamine;hydrochloride (PubChem CID 75525603) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is isoquinoline-5,8-diamine;hydrochloride.

Molecular Properties

Compound Nameisoquinoline-5,8-diamine;hydrochloride
PubChem CID75525603
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Nameisoquinoline-5,8-diamine;hydrochloride
SMILESCl.Nc1ccc(N)c2cnccc12
InChIInChI=1S/C9H9N3.ClH/c10-8-1-2-9(11)7-5-12-4-3-6(7)8;/h1-5H,10-11H2;1H
InChIKeyZUCDQUDHIYZION-UHFFFAOYSA-N
XLogP1.82
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-chloroisoquinolin-5-amine
CID 53421157
8-ethylisoquinolin-5-amine
CID 58807103
2,9-phenanthroline-5,6-diamine
CID 118108253
8-ethoxyisoquinolin-5-amine
CID 103139590
8-(4-chlorophenyl)isoquinolin-5-amine
CID 82583230
5-phenylsulfanylisoquinolin-8-amine
CID 43382774
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
2-(5-aminoisoquinolin-8-yl)oxyethanol
CID 103139769
1-(8-aminoisoquinolin-5-yl)pyrrolidine-3,4-diol
CID 106667448
8-propoxyisoquinolin-5-amine
CID 103139869
2-(5-aminoisoquinolin-8-yl)sulfanylethanol
CID 103140967
8-(2,2,2-trifluoroethoxy)isoquinolin-5-amine
CID 103139582

Frequently Asked Questions

What is the IUPAC name of isoquinoline-5,8-diamine;hydrochloride?
The IUPAC name of isoquinoline-5,8-diamine;hydrochloride (CID 75525603) is isoquinoline-5,8-diamine;hydrochloride.
What is the SMILES notation for isoquinoline-5,8-diamine;hydrochloride?
The canonical SMILES for isoquinoline-5,8-diamine;hydrochloride is Cl.Nc1ccc(N)c2cnccc12.
What is the InChIKey of isoquinoline-5,8-diamine;hydrochloride?
The InChIKey is ZUCDQUDHIYZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.ClH/c10-8-1-2-9(11)7-5-12-4-3-6(7)8;/h1-5H,10-11H2;1H.
What are the key properties of isoquinoline-5,8-diamine;hydrochloride?
isoquinoline-5,8-diamine;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-5,8-diamine;hydrochloride is sourced from PubChem (CID 75525603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).