N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine

C11H17N3O — CID 107138816

IUPACN-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)C1CCCOC1
InChIInChI=1S/C11H17N3O/c1-12-11(9-4-5-13-14-7-9)10-3-2-6-15-8-10/h4-5,7,10-12H,2-3,6,8H2,1H3
InChIKeyVSYSDOUKEKVIQS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine

N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine (PubChem CID 107138816) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
PubChem CID107138816
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
SMILESCNC(c1ccnnc1)C1CCCOC1
InChIInChI=1S/C11H17N3O/c1-12-11(9-4-5-13-14-7-9)10-3-2-6-15-8-10/h4-5,7,10-12H,2-3,6,8H2,1H3
InChIKeyVSYSDOUKEKVIQS-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136699
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015238
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139167
7-[methylamino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525855
2-cyclopropyl-N-methyl-1-pyridazin-4-ylethanamine
CID 105152933
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine (CID 107138816) is N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine is CNC(c1ccnnc1)C1CCCOC1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine?
The InChIKey is VSYSDOUKEKVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-11(9-4-5-13-14-7-9)10-3-2-6-15-8-10/h4-5,7,10-12H,2-3,6,8H2,1H3.
What are the key properties of N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine?
N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine is sourced from PubChem (CID 107138816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).