1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine

C15H17N3O — CID 106833897

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESc1cnnc(CNCC2CCOc3ccccc32)c1
InChIInChI=1S/C15H17N3O/c1-2-6-15-14(5-1)12(7-9-19-15)10-16-11-13-4-3-8-17-18-13/h1-6,8,12,16H,7,9-11H2
InChIKeyPLWVKBCOPSSKIL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.13
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine

1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine (PubChem CID 106833897) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine
PubChem CID106833897
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESc1cnnc(CNCC2CCOc3ccccc32)c1
InChIInChI=1S/C15H17N3O/c1-2-6-15-14(5-1)12(7-9-19-15)10-16-11-13-4-3-8-17-18-13/h1-6,8,12,16H,7,9-11H2
InChIKeyPLWVKBCOPSSKIL-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propane-1,2-diol
CID 113451136
1-(3,4-dihydro-2H-chromen-4-yl)-2-(pyridazin-3-ylmethyl)guanidine;hydroiodide
CID 120580491
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104768313
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine (CID 106833897) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine is c1cnnc(CNCC2CCOc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine?
The InChIKey is PLWVKBCOPSSKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-6-15-14(5-1)12(7-9-19-15)10-16-11-13-4-3-8-17-18-13/h1-6,8,12,16H,7,9-11H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine is sourced from PubChem (CID 106833897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).