N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine

C9H13N3 — CID 105163770

IUPACN,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccnnc1
InChIInChI=1S/C9H13N3/c1-7(2)9(10-3)8-4-5-11-12-6-8/h4-6,9-10H,1H2,2-3H3
InChIKeyUPWDBCMIJQAYJG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.31
Rot. Bonds3

About N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine

N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine (PubChem CID 105163770) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine
PubChem CID105163770
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccnnc1
InChIInChI=1S/C9H13N3/c1-7(2)9(10-3)8-4-5-11-12-6-8/h4-6,9-10H,1H2,2-3H3
InChIKeyUPWDBCMIJQAYJG-UHFFFAOYSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005125
1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005216
1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 105163768
N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105005111
2-cyclopropyl-N-methyl-1-pyridazin-4-ylethanamine
CID 105152933
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
(1R)-1-pyridazin-4-ylethanamine
CID 86332876
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(furan-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105146777
N-methyl-4-phenyl-1-pyridazin-4-ylbutan-1-amine
CID 105139889
N-methyl-1-pyridazin-4-ylnonan-1-amine
CID 105128253
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine (CID 105163770) is N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine is C=C(C)C(NC)c1ccnnc1.
What is the InChIKey of N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine?
The InChIKey is UPWDBCMIJQAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)9(10-3)8-4-5-11-12-6-8/h4-6,9-10H,1H2,2-3H3.
What are the key properties of N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine?
N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine is sourced from PubChem (CID 105163770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).