1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine

C10H15N3 — CID 105163714

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1cc(C)nnc1C
InChIInChI=1S/C10H15N3/c1-6(2)10(11)9-5-7(3)12-13-8(9)4/h5,10H,1,11H2,2-4H3
InChIKeyHNJYCKGFHIVKKY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.67
Rot. Bonds2

About 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine

1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine (PubChem CID 105163714) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine
PubChem CID105163714
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1cc(C)nnc1C
InChIInChI=1S/C10H15N3/c1-6(2)10(11)9-5-7(3)12-13-8(9)4/h5,10H,1,11H2,2-4H3
InChIKeyHNJYCKGFHIVKKY-UHFFFAOYSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.67
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

(6-Methylpyridazin-3-yl)methanamine dihydrochloride
CID 91667906
4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
Benzyl-(3,5-dimethyl-pyrazol-1-yl)-amine
CID 15129844
Pyridazine, 3,4,6-trimethyl-
CID 12440100
3,5-Dimethylpyridazine
CID 13262523
Pyridazine, 4-ethyl-6-methyl-
CID 15054356
4,5-Diazaindan, 6-methyl-
CID 59271921
Cinnoline, 5,6,7,8-tetrahydro-3-methyl-
CID 59271933
Pyridazine, 3-methyl-6-n-propyl-
CID 85774315
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
3-Methyl-6-phenylpyridazine
CID 11378744

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine (CID 105163714) is 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine?
The InChIKey is HNJYCKGFHIVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-6(2)10(11)9-5-7(3)12-13-8(9)4/h5,10H,1,11H2,2-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105163714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).