N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine

C11H15N5 — CID 106895860

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCc1cc(CNCc2cccnn2)n(C)n1
InChIInChI=1S/C11H15N5/c1-9-6-11(16(2)15-9)8-12-7-10-4-3-5-13-14-10/h3-6,12H,7-8H2,1-2H3
InChIKeyFWPHFRBZMXOQJL-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.81
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106895860) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106895860
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCc1cc(CNCc2cccnn2)n(C)n1
InChIInChI=1S/C11H15N5/c1-9-6-11(16(2)15-9)8-12-7-10-4-3-5-13-14-10/h3-6,12H,7-8H2,1-2H3
InChIKeyFWPHFRBZMXOQJL-UHFFFAOYSA-N
XLogP0.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166741
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126965966
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895595
N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833951
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,5-dimethylpyrazol-3-yl)methanamine
CID 114180444
[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
CID 106895571
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106895860) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine is Cc1cc(CNCc2cccnn2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is FWPHFRBZMXOQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-6-11(16(2)15-9)8-12-7-10-4-3-5-13-14-10/h3-6,12H,7-8H2,1-2H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106895860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).