4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

C7H5ClN4O — CID 67965316

IUPAC4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc2[nH]ccc2c1Cl
InChIInChI=1S/C7H5ClN4O/c8-4-3-1-2-10-7(3)12-11-5(4)6(9)13/h1-2H,(H2,9,13)(H,10,12)
InChIKeyGGKCRBSCSLAJNY-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.71
Rot. Bonds1

About 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 67965316) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID67965316
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc2[nH]ccc2c1Cl
InChIInChI=1S/C7H5ClN4O/c8-4-3-1-2-10-7(3)12-11-5(4)6(9)13/h1-2H,(H2,9,13)(H,10,12)
InChIKeyGGKCRBSCSLAJNY-UHFFFAOYSA-N
XLogP0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (CID 67965316) is 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is NC(=O)c1nnc2[nH]ccc2c1Cl.
What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is GGKCRBSCSLAJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-4-3-1-2-10-7(3)12-11-5(4)6(9)13/h1-2H,(H2,9,13)(H,10,12).
What are the key properties of 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 196.60 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 67965316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).