[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride

C14H16ClN3O — CID 137460707

IUPAC[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1OCCc2c(-c3ccnnc3)cccc21
InChIInChI=1S/C14H15N3O.ClH/c15-8-14-13-3-1-2-11(12(13)5-7-18-14)10-4-6-16-17-9-10;/h1-4,6,9,14H,5,7-8,15H2;1H/t14-;/m0./s1
InChIKeyBFZDNHPZWKWBLW-UQKRIMTDSA-N
MW277.75 g/mol
LogP2.14
Rot. Bonds2

About [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride

[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride (PubChem CID 137460707) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
PubChem CID137460707
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1OCCc2c(-c3ccnnc3)cccc21
InChIInChI=1S/C14H15N3O.ClH/c15-8-14-13-3-1-2-11(12(13)5-7-18-14)10-4-6-16-17-9-10;/h1-4,6,9,14H,5,7-8,15H2;1H/t14-;/m0./s1
InChIKeyBFZDNHPZWKWBLW-UQKRIMTDSA-N
XLogP2.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460383
[(1S)-5-(2-methyl-4-pyridinyl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460323
methyl N-[[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137460155
[5-(1,3-oxazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460302
bis(N-methyl-1-(5-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine);(5-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine;(5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 167625946
[(1R)-5-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496743
4-[(1S)-1-(aminomethyl)-3,4-dihydro-1H-isochromen-5-yl]benzonitrile;hydrochloride
CID 171496577
tert-butyl N-[[(1S)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 140959168
[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460177
[5-(1H-imidazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460361
(5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460198
[(1S)-5-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460683

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
The IUPAC name of [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride (CID 137460707) is [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride.
What is the SMILES notation for [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
The canonical SMILES for [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride is Cl.NC[C@@H]1OCCc2c(-c3ccnnc3)cccc21.
What is the InChIKey of [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
The InChIKey is BFZDNHPZWKWBLW-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c15-8-14-13-3-1-2-11(12(13)5-7-18-14)10-4-6-16-17-9-10;/h1-4,6,9,14H,5,7-8,15H2;1H/t14-;/m0./s1.
What are the key properties of [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride is sourced from PubChem (CID 137460707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).