4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C12H14N4O2 — CID 50914175

IUPAC4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cccc2c1NC1CCOC1
InChIInChI=1S/C12H14N4O2/c13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8/h1-2,4,6,8,15H,3,5,7H2,(H2,13,17)
InChIKeyZWDASIHSVLBQPP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.63
Rot. Bonds3

About 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 50914175) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID50914175
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cccc2c1NC1CCOC1
InChIInChI=1S/C12H14N4O2/c13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8/h1-2,4,6,8,15H,3,5,7H2,(H2,13,17)
InChIKeyZWDASIHSVLBQPP-UHFFFAOYSA-N
XLogP0.63
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 50914175) is 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cccc2c1NC1CCOC1.
What is the InChIKey of 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZWDASIHSVLBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8/h1-2,4,6,8,15H,3,5,7H2,(H2,13,17).
What are the key properties of 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 50914175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).