1-(6-methylpyridazin-3-yl)prop-2-en-1-amine

C8H11N3 — CID 130909691

IUPAC1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(C)nn1
InChIInChI=1S/C8H11N3/c1-3-7(9)8-5-4-6(2)10-11-8/h3-5,7H,1,9H2,2H3
InChIKeyGPBCXYGBVPGTLE-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.97
Rot. Bonds2

About 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine

1-(6-methylpyridazin-3-yl)prop-2-en-1-amine (PubChem CID 130909691) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
PubChem CID130909691
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(C)nn1
InChIInChI=1S/C8H11N3/c1-3-7(9)8-5-4-6(2)10-11-8/h3-5,7H,1,9H2,2H3
InChIKeyGPBCXYGBVPGTLE-UHFFFAOYSA-N
XLogP0.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.97
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

(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 130619604
1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine
CID 130506037
(1S)-1-(6-methylpyridazin-3-yl)ethanol
CID 121415126
1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530047
(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 55273784
(2R)-3-methyl-2-(6-methylpyridazin-3-yl)butan-1-amine
CID 96743407
(6-methylpyridazin-3-yl)-thiophen-2-ylmethanamine
CID 131057763
1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine
CID 159613032
1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine
CID 55291769
CID 164557731
CID 164557731
[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol
CID 130042114
[cyclopropyl-(6-methylpyridazin-3-yl)methyl]hydrazine
CID 127017379

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine (CID 130909691) is 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine is C=CC(N)c1ccc(C)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine?
The InChIKey is GPBCXYGBVPGTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-7(9)8-5-4-6(2)10-11-8/h3-5,7H,1,9H2,2H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine?
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine has a molecular weight of 149.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 130909691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).