(7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine

C8H10N4O — CID 96742266

IUPAC(7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine
SMILESCOc1nncc2cc(CN)[nH]c12
InChIInChI=1S/C8H10N4O/c1-13-8-7-5(4-10-12-8)2-6(3-9)11-7/h2,4,11H,3,9H2,1H3
InChIKeyWPYIJJRYQZGDTL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.43
Rot. Bonds2

About (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine

(7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine (PubChem CID 96742266) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine.

Molecular Properties

Compound Name(7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine
PubChem CID96742266
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name(7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine
SMILESCOc1nncc2cc(CN)[nH]c12
InChIInChI=1S/C8H10N4O/c1-13-8-7-5(4-10-12-8)2-6(3-9)11-7/h2,4,11H,3,9H2,1H3
InChIKeyWPYIJJRYQZGDTL-UHFFFAOYSA-N
XLogP0.43
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine?
The IUPAC name of (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine (CID 96742266) is (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine.
What is the SMILES notation for (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine?
The canonical SMILES for (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine is COc1nncc2cc(CN)[nH]c12.
What is the InChIKey of (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine?
The InChIKey is WPYIJJRYQZGDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-13-8-7-5(4-10-12-8)2-6(3-9)11-7/h2,4,11H,3,9H2,1H3.
What are the key properties of (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine?
(7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine has a molecular weight of 178.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1H-pyrrolo[2,3-d]pyridazin-2-yl)methanamine is sourced from PubChem (CID 96742266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).