4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide

C14H11N5O2 — CID 88535151

IUPAC4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(N=O)cc2c1Nc1ccccc1
InChIInChI=1S/C14H11N5O2/c15-14(20)11-7-16-19-8-10(18-21)6-12(19)13(11)17-9-4-2-1-3-5-9/h1-8,17H,(H2,15,20)
InChIKeyJNRAALZHTABSFW-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.57
Rot. Bonds4

About 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide

4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 88535151) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID88535151
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(N=O)cc2c1Nc1ccccc1
InChIInChI=1S/C14H11N5O2/c15-14(20)11-7-16-19-8-10(18-21)6-12(19)13(11)17-9-4-2-1-3-5-9/h1-8,17H,(H2,15,20)
InChIKeyJNRAALZHTABSFW-UHFFFAOYSA-N
XLogP2.57
TPSA101.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide (CID 88535151) is 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(N=O)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is JNRAALZHTABSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-14(20)11-7-16-19-8-10(18-21)6-12(19)13(11)17-9-4-2-1-3-5-9/h1-8,17H,(H2,15,20).
What are the key properties of 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 88535151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).