N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine

C15H17N3O — CID 165409301

IUPACN-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESCNC[C@@H]1CCOc2c(-c3ccnnc3)cccc21
InChIInChI=1S/C15H17N3O/c1-16-9-12-6-8-19-15-13(3-2-4-14(12)15)11-5-7-17-18-10-11/h2-5,7,10,12,16H,6,8-9H2,1H3/t12-/m0/s1
InChIKeySLMIQYXBLVTWPT-LBPRGKRZSA-N
MW255.32 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine

N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine (PubChem CID 165409301) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
PubChem CID165409301
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESCNC[C@@H]1CCOc2c(-c3ccnnc3)cccc21
InChIInChI=1S/C15H17N3O/c1-16-9-12-6-8-19-15-13(3-2-4-14(12)15)11-5-7-17-18-10-11/h2-5,7,10,12,16H,6,8-9H2,1H3/t12-/m0/s1
InChIKeySLMIQYXBLVTWPT-LBPRGKRZSA-N
XLogP2.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 165409299
1-[8-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 165409290
4-[(4R)-4-(methylaminomethyl)-3,4-dihydro-2H-chromen-8-yl]benzonitrile
CID 171496483
1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 174237193
(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
CID 174232180
N-methyl-1-(5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460383
[(4R)-8-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
CID 174232188
[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409099
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol
CID 105460510
[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 171470395
tert-butyl N-[[(4R)-8-(4-cyanophenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 175998709

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The IUPAC name of N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine (CID 165409301) is N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine is CNC[C@@H]1CCOc2c(-c3ccnnc3)cccc21.
What is the InChIKey of N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The InChIKey is SLMIQYXBLVTWPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-9-12-6-8-19-15-13(3-2-4-14(12)15)11-5-7-17-18-10-11/h2-5,7,10,12,16H,6,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine is sourced from PubChem (CID 165409301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).