6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride

C6H7ClN4 — CID 164861602

IUPAC6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(CN)nn1
InChIInChI=1S/C6H6N4.ClH/c7-3-5-1-2-6(4-8)10-9-5;/h1-2H,3,7H2;1H
InChIKeyNDMFORFEESNACL-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.23
Rot. Bonds1

About 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride

6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride (PubChem CID 164861602) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride
PubChem CID164861602
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(CN)nn1
InChIInChI=1S/C6H6N4.ClH/c7-3-5-1-2-6(4-8)10-9-5;/h1-2H,3,7H2;1H
InChIKeyNDMFORFEESNACL-UHFFFAOYSA-N
XLogP0.23
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride (CID 164861602) is 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride is Cl.N#Cc1ccc(CN)nn1.
What is the InChIKey of 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride?
The InChIKey is NDMFORFEESNACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.ClH/c7-3-5-1-2-6(4-8)10-9-5;/h1-2H,3,7H2;1H.
What are the key properties of 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride?
6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 164861602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).