1-pyridazin-4-ylethenamine

C6H7N3 — CID 145472122

IUPAC1-pyridazin-4-ylethenamine
SMILESC=C(N)c1ccnnc1
InChIInChI=1S/C6H7N3/c1-5(7)6-2-3-8-9-4-6/h2-4H,1,7H2
InChIKeyMNWPCPFPSANLKV-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.41
Rot. Bonds1

About 1-pyridazin-4-ylethenamine

1-pyridazin-4-ylethenamine (PubChem CID 145472122) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-pyridazin-4-ylethenamine.

Molecular Properties

Compound Name1-pyridazin-4-ylethenamine
PubChem CID145472122
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name1-pyridazin-4-ylethenamine
SMILESC=C(N)c1ccnnc1
InChIInChI=1S/C6H7N3/c1-5(7)6-2-3-8-9-4-6/h2-4H,1,7H2
InChIKeyMNWPCPFPSANLKV-UHFFFAOYSA-N
XLogP0.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-ylethenamine?
The IUPAC name of 1-pyridazin-4-ylethenamine (CID 145472122) is 1-pyridazin-4-ylethenamine.
What is the SMILES notation for 1-pyridazin-4-ylethenamine?
The canonical SMILES for 1-pyridazin-4-ylethenamine is C=C(N)c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-ylethenamine?
The InChIKey is MNWPCPFPSANLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5(7)6-2-3-8-9-4-6/h2-4H,1,7H2.
What are the key properties of 1-pyridazin-4-ylethenamine?
1-pyridazin-4-ylethenamine has a molecular weight of 121.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-ylethenamine is sourced from PubChem (CID 145472122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).