2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine

C9H13N5 — CID 143142491

IUPAC2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine
SMILESC=Nc1cc(CCNC)nnc1N=C
InChIInChI=1S/C9H13N5/c1-10-5-4-7-6-8(11-2)9(12-3)14-13-7/h6,10H,2-5H2,1H3
InChIKeyHECUUXNRRVDOAA-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.90
Rot. Bonds5

About 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine

2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine (PubChem CID 143142491) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine
PubChem CID143142491
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine
SMILESC=Nc1cc(CCNC)nnc1N=C
InChIInChI=1S/C9H13N5/c1-10-5-4-7-6-8(11-2)9(12-3)14-13-7/h6,10H,2-5H2,1H3
InChIKeyHECUUXNRRVDOAA-UHFFFAOYSA-N
XLogP0.90
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine (CID 143142491) is 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine is C=Nc1cc(CCNC)nnc1N=C.
What is the InChIKey of 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine?
The InChIKey is HECUUXNRRVDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-10-5-4-7-6-8(11-2)9(12-3)14-13-7/h6,10H,2-5H2,1H3.
What are the key properties of 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine?
2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine has a molecular weight of 191.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(methylideneamino)pyridazin-3-yl]-N-methylethanamine is sourced from PubChem (CID 143142491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).