N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine

C11H13N5 — CID 12698866

IUPACN-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine
SMILESCC(C)=NNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C11H13N5/c1-9(2)12-13-10-5-6-11(15-14-10)16-7-3-4-8-16/h3-8H,1-2H3,(H,13,14)
InChIKeyFLDWBIDAGXBUKB-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.08
Rot. Bonds3

About N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine

N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine (PubChem CID 12698866) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine
PubChem CID12698866
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine
SMILESCC(C)=NNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C11H13N5/c1-9(2)12-13-10-5-6-11(15-14-10)16-7-3-4-8-16/h3-8H,1-2H3,(H,13,14)
InChIKeyFLDWBIDAGXBUKB-UHFFFAOYSA-N
XLogP2.08
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine?
The IUPAC name of N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine (CID 12698866) is N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine?
The canonical SMILES for N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine is CC(C)=NNc1ccc(-n2cccc2)nn1.
What is the InChIKey of N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine?
The InChIKey is FLDWBIDAGXBUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-9(2)12-13-10-5-6-11(15-14-10)16-7-3-4-8-16/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine?
N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine has a molecular weight of 215.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine is sourced from PubChem (CID 12698866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).