1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine

C7H8N4 — CID 92710382

IUPAC1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine
SMILESNCc1nncc2[nH]ccc12
InChIInChI=1S/C7H8N4/c8-3-6-5-1-2-9-7(5)4-10-11-6/h1-2,4,9H,3,8H2
InChIKeyQPASOTAIQXMTCE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.42
Rot. Bonds1

About 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine

1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine (PubChem CID 92710382) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine
PubChem CID92710382
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine
SMILESNCc1nncc2[nH]ccc12
InChIInChI=1S/C7H8N4/c8-3-6-5-1-2-9-7(5)4-10-11-6/h1-2,4,9H,3,8H2
InChIKeyQPASOTAIQXMTCE-UHFFFAOYSA-N
XLogP0.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine?
The IUPAC name of 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine (CID 92710382) is 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine.
What is the SMILES notation for 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine?
The canonical SMILES for 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine is NCc1nncc2[nH]ccc12.
What is the InChIKey of 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine?
The InChIKey is QPASOTAIQXMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-3-6-5-1-2-9-7(5)4-10-11-6/h1-2,4,9H,3,8H2.
What are the key properties of 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine?
1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine has a molecular weight of 148.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-d]pyridazin-4-ylmethanamine is sourced from PubChem (CID 92710382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).