6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine

C12H15N3 — CID 143573090

IUPAC6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine
SMILESC=C/C=C(\C=C/C)c1nnc(N)cc1C
InChIInChI=1S/C12H15N3/c1-4-6-10(7-5-2)12-9(3)8-11(13)14-15-12/h4-8H,1H2,2-3H3,(H2,13,14)/b7-5-,10-6+
InChIKeyFHSVBSZTLJCYMP-ZPRNNRRZSA-N
MW201.27 g/mol
LogP2.51
Rot. Bonds3

About 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine

6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine (PubChem CID 143573090) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine
PubChem CID143573090
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine
SMILESC=C/C=C(\C=C/C)c1nnc(N)cc1C
InChIInChI=1S/C12H15N3/c1-4-6-10(7-5-2)12-9(3)8-11(13)14-15-12/h4-8H,1H2,2-3H3,(H2,13,14)/b7-5-,10-6+
InChIKeyFHSVBSZTLJCYMP-ZPRNNRRZSA-N
XLogP2.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methylpyridazin-3-amine
CID 87712
Pyridazine, 3-amino-4,6-dimethyl-
CID 205057
3-Hydrazinyl-6-phenylpyridazine
CID 6409842
6-Phenylpyridazin-3-amine
CID 11958915
3-Amino-4,6-diphenylpyridazine
CID 11770746
Benzaldehyde, (4,6-dimethyl-3-pyridazinyl)hydrazone
CID 6509211
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
5,6-Dimethylpyridazin-3-amine
CID 19422863
6-(Trifluoromethyl)pyridazin-3-amine
CID 59805859
3-Amino-4-methyl-6-phenylpyridazine
CID 603946
3-Hydrazinyl-6-methylpyridazine
CID 12379804

Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine?
The IUPAC name of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine (CID 143573090) is 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine.
What is the SMILES notation for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine?
The canonical SMILES for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine is C=C/C=C(\C=C/C)c1nnc(N)cc1C.
What is the InChIKey of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine?
The InChIKey is FHSVBSZTLJCYMP-ZPRNNRRZSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-6-10(7-5-2)12-9(3)8-11(13)14-15-12/h4-8H,1H2,2-3H3,(H2,13,14)/b7-5-,10-6+.
What are the key properties of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine?
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 143573090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).