N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide

C10H10N4O — CID 134792398

IUPACN-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide
SMILESC=CCNC(=O)c1cc2cccnn2n1
InChIInChI=1S/C10H10N4O/c1-2-5-11-10(15)9-7-8-4-3-6-12-14(8)13-9/h2-4,6-7H,1,5H2,(H,11,15)
InChIKeyNPYWQXKWYGYLTG-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.65
Rot. Bonds3

About N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide

N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide (PubChem CID 134792398) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide
PubChem CID134792398
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide
SMILESC=CCNC(=O)c1cc2cccnn2n1
InChIInChI=1S/C10H10N4O/c1-2-5-11-10(15)9-7-8-4-3-6-12-14(8)13-9/h2-4,6-7H,1,5H2,(H,11,15)
InChIKeyNPYWQXKWYGYLTG-UHFFFAOYSA-N
XLogP0.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide?
The IUPAC name of N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide (CID 134792398) is N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide?
The canonical SMILES for N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide is C=CCNC(=O)c1cc2cccnn2n1.
What is the InChIKey of N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide?
The InChIKey is NPYWQXKWYGYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-2-5-11-10(15)9-7-8-4-3-6-12-14(8)13-9/h2-4,6-7H,1,5H2,(H,11,15).
What are the key properties of N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide?
N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpyrazolo[1,5-b]pyridazine-2-carboxamide is sourced from PubChem (CID 134792398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).