4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide

C9H9N5O — CID 116786028

IUPAC4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cccnn2)c1
InChIInChI=1S/C9H9N5O/c10-6-4-7(11-5-6)9(15)13-8-2-1-3-12-14-8/h1-5,11H,10H2,(H,13,14,15)
InChIKeyHTCCDRGQYYGTOH-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.64
Rot. Bonds2

About 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide

4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 116786028) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID116786028
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cccnn2)c1
InChIInChI=1S/C9H9N5O/c10-6-4-7(11-5-6)9(15)13-8-2-1-3-12-14-8/h1-5,11H,10H2,(H,13,14,15)
InChIKeyHTCCDRGQYYGTOH-UHFFFAOYSA-N
XLogP0.64
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide (CID 116786028) is 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2cccnn2)c1.
What is the InChIKey of 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is HTCCDRGQYYGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-6-4-7(11-5-6)9(15)13-8-2-1-3-12-14-8/h1-5,11H,10H2,(H,13,14,15).
What are the key properties of 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide?
4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 203.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 116786028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).