2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine

C10H11N3 — CID 142660551

IUPAC2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine
SMILESCC=CC1(C)C=c2cnncc2=N1
InChIInChI=1S/C10H11N3/c1-3-4-10(2)5-8-6-11-12-7-9(8)13-10/h3-7H,1-2H3
InChIKeyOKKFOEPAPGDOJN-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.23
Rot. Bonds1

About 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine

2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine (PubChem CID 142660551) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine
PubChem CID142660551
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine
SMILESCC=CC1(C)C=c2cnncc2=N1
InChIInChI=1S/C10H11N3/c1-3-4-10(2)5-8-6-11-12-7-9(8)13-10/h3-7H,1-2H3
InChIKeyOKKFOEPAPGDOJN-UHFFFAOYSA-N
XLogP0.23
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(5Z)-N-methyl-5-[(Z)-pent-2-enylidene]pyridazin-4-imine
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(3Z)-N-methyl-3-prop-2-enylidene-2H-pyrrol-4-imine
CID 153558354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine?
The IUPAC name of 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine (CID 142660551) is 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine?
The canonical SMILES for 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine is CC=CC1(C)C=c2cnncc2=N1.
What is the InChIKey of 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine?
The InChIKey is OKKFOEPAPGDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-4-10(2)5-8-6-11-12-7-9(8)13-10/h3-7H,1-2H3.
What are the key properties of 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine?
2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine has a molecular weight of 173.22 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-1-enylpyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 142660551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).