N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride

C15H18ClN3O — CID 137460827

IUPACN-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
SMILESCNC[C@@H]1OCCc2cc(-c3cccnn3)ccc21.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-16-10-15-13-5-4-12(9-11(13)6-8-19-15)14-3-2-7-17-18-14;/h2-5,7,9,15-16H,6,8,10H2,1H3;1H/t15-;/m0./s1
InChIKeyXBYSERAKXVQBNR-RSAXXLAASA-N
MW291.78 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride

N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride (PubChem CID 137460827) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
PubChem CID137460827
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
SMILESCNC[C@@H]1OCCc2cc(-c3cccnn3)ccc21.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-16-10-15-13-5-4-12(9-11(13)6-8-19-15)14-3-2-7-17-18-14;/h2-5,7,9,15-16H,6,8,10H2,1H3;1H/t15-;/m0./s1
InChIKeyXBYSERAKXVQBNR-RSAXXLAASA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride with MolForge

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Related Compounds

N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460330
N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460411
N-methyl-1-(5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460383
N-methyl-1-[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460678
1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 165409710
1-[(1R)-7-fluoro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409737
N-methyl-1-[(1R)-5-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460474
N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460178
1-[(1S)-5-(2,6-dimethyl-4-pyridinyl)-3,4-dihydro-1H-isochromen-1-yl]-N-methylmethanamine;hydrochloride
CID 156579260
[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137476884
tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137476970
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride (CID 137460827) is N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride is CNC[C@@H]1OCCc2cc(-c3cccnn3)ccc21.Cl.
What is the InChIKey of N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
The InChIKey is XBYSERAKXVQBNR-RSAXXLAASA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-16-10-15-13-5-4-12(9-11(13)6-8-19-15)14-3-2-7-17-18-14;/h2-5,7,9,15-16H,6,8,10H2,1H3;1H/t15-;/m0./s1.
What are the key properties of N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride?
N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride is sourced from PubChem (CID 137460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).