2-(1H-pyrrol-2-yl)-1H-pyridazine

C8H9N3 — CID 68572199

IUPAC2-(1H-pyrrol-2-yl)-1H-pyridazine
SMILESC1=CNN(c2ccc[nH]2)C=C1
InChIInChI=1S/C8H9N3/c1-2-7-11(10-6-1)8-4-3-5-9-8/h1-7,9-10H
InChIKeyCRPDAASFRKWQBS-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.37
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)-1H-pyridazine

2-(1H-pyrrol-2-yl)-1H-pyridazine (PubChem CID 68572199) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-1H-pyridazine.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-1H-pyridazine
PubChem CID68572199
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(1H-pyrrol-2-yl)-1H-pyridazine
SMILESC1=CNN(c2ccc[nH]2)C=C1
InChIInChI=1S/C8H9N3/c1-2-7-11(10-6-1)8-4-3-5-9-8/h1-7,9-10H
InChIKeyCRPDAASFRKWQBS-UHFFFAOYSA-N
XLogP1.37
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-1H-pyridazine?
The IUPAC name of 2-(1H-pyrrol-2-yl)-1H-pyridazine (CID 68572199) is 2-(1H-pyrrol-2-yl)-1H-pyridazine.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-1H-pyridazine?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-1H-pyridazine is C1=CNN(c2ccc[nH]2)C=C1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-1H-pyridazine?
The InChIKey is CRPDAASFRKWQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-7-11(10-6-1)8-4-3-5-9-8/h1-7,9-10H.
What are the key properties of 2-(1H-pyrrol-2-yl)-1H-pyridazine?
2-(1H-pyrrol-2-yl)-1H-pyridazine has a molecular weight of 147.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-1H-pyridazine is sourced from PubChem (CID 68572199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).