6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid

C15H17N5O3 — CID 66849762

IUPAC6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCn1cccc1C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C15H17N5O3/c1-18-6-2-3-12(18)14(21)20-9-7-19(8-10-20)13-5-4-11(15(22)23)16-17-13/h2-6H,7-10H2,1H3,(H,22,23)
InChIKeyXEYZLMDTEFNVHV-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.48
Rot. Bonds3

About 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 66849762) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID66849762
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCn1cccc1C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C15H17N5O3/c1-18-6-2-3-12(18)14(21)20-9-7-19(8-10-20)13-5-4-11(15(22)23)16-17-13/h2-6H,7-10H2,1H3,(H,22,23)
InChIKeyXEYZLMDTEFNVHV-UHFFFAOYSA-N
XLogP0.48
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid (CID 66849762) is 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid is Cn1cccc1C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is XEYZLMDTEFNVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-18-6-2-3-12(18)14(21)20-9-7-19(8-10-20)13-5-4-11(15(22)23)16-17-13/h2-6H,7-10H2,1H3,(H,22,23).
What are the key properties of 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66849762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).