4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C14H13N5O — CID 123509575

IUPAC4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cnccc1-c1cc2c(N)c(C(N)=O)cnn2c1
InChIInChI=1S/C14H13N5O/c1-8-5-17-3-2-10(8)9-4-12-13(15)11(14(16)20)6-18-19(12)7-9/h2-7H,15H2,1H3,(H2,16,20)
InChIKeyQAGXRIORZCWALA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.39
Rot. Bonds2

About 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123509575) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID123509575
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cnccc1-c1cc2c(N)c(C(N)=O)cnn2c1
InChIInChI=1S/C14H13N5O/c1-8-5-17-3-2-10(8)9-4-12-13(15)11(14(16)20)6-18-19(12)7-9/h2-7H,15H2,1H3,(H2,16,20)
InChIKeyQAGXRIORZCWALA-UHFFFAOYSA-N
XLogP1.39
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 123509575) is 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is Cc1cnccc1-c1cc2c(N)c(C(N)=O)cnn2c1.
What is the InChIKey of 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QAGXRIORZCWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-8-5-17-3-2-10(8)9-4-12-13(15)11(14(16)20)6-18-19(12)7-9/h2-7H,15H2,1H3,(H2,16,20).
What are the key properties of 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123509575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).