6-ethynyl-3-methylpyridazin-4-amine

C7H7N3 — CID 171542326

IUPAC6-ethynyl-3-methylpyridazin-4-amine
SMILESC#Cc1cc(N)c(C)nn1
InChIInChI=1S/C7H7N3/c1-3-6-4-7(8)5(2)9-10-6/h1,4H,2H3,(H2,8,10)
InChIKeyDNOMHJQEAXQNEU-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.35
Rot. Bonds

About 6-ethynyl-3-methylpyridazin-4-amine

6-ethynyl-3-methylpyridazin-4-amine (PubChem CID 171542326) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 6-ethynyl-3-methylpyridazin-4-amine.

Molecular Properties

Compound Name6-ethynyl-3-methylpyridazin-4-amine
PubChem CID171542326
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name6-ethynyl-3-methylpyridazin-4-amine
SMILESC#Cc1cc(N)c(C)nn1
InChIInChI=1S/C7H7N3/c1-3-6-4-7(8)5(2)9-10-6/h1,4H,2H3,(H2,8,10)
InChIKeyDNOMHJQEAXQNEU-UHFFFAOYSA-N
XLogP0.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-3-methylpyridazin-4-amine?
The IUPAC name of 6-ethynyl-3-methylpyridazin-4-amine (CID 171542326) is 6-ethynyl-3-methylpyridazin-4-amine.
What is the SMILES notation for 6-ethynyl-3-methylpyridazin-4-amine?
The canonical SMILES for 6-ethynyl-3-methylpyridazin-4-amine is C#Cc1cc(N)c(C)nn1.
What is the InChIKey of 6-ethynyl-3-methylpyridazin-4-amine?
The InChIKey is DNOMHJQEAXQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-3-6-4-7(8)5(2)9-10-6/h1,4H,2H3,(H2,8,10).
What are the key properties of 6-ethynyl-3-methylpyridazin-4-amine?
6-ethynyl-3-methylpyridazin-4-amine has a molecular weight of 133.15 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-3-methylpyridazin-4-amine is sourced from PubChem (CID 171542326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).