N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride

C12H14ClN3 — CID 68592235

IUPACN-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride
SMILESCl.c1cc2cc(NC3CNC3)ccc2cn1
InChIInChI=1S/C12H13N3.ClH/c1-2-11(15-12-7-14-8-12)5-9-3-4-13-6-10(1)9;/h1-6,12,14-15H,7-8H2;1H
InChIKeyMULDYOJOHUCESA-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.04
Rot. Bonds2

About N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride

N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride (PubChem CID 68592235) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride
PubChem CID68592235
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride
SMILESCl.c1cc2cc(NC3CNC3)ccc2cn1
InChIInChI=1S/C12H13N3.ClH/c1-2-11(15-12-7-14-8-12)5-9-3-4-13-6-10(1)9;/h1-6,12,14-15H,7-8H2;1H
InChIKeyMULDYOJOHUCESA-UHFFFAOYSA-N
XLogP2.04
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride (CID 68592235) is N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride is Cl.c1cc2cc(NC3CNC3)ccc2cn1.
What is the InChIKey of N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride?
The InChIKey is MULDYOJOHUCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.ClH/c1-2-11(15-12-7-14-8-12)5-9-3-4-13-6-10(1)9;/h1-6,12,14-15H,7-8H2;1H.
What are the key properties of N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride?
N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride is sourced from PubChem (CID 68592235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).