6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile

C8H5ClN4 — CID 90135335

IUPAC6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(Cl)nn12
InChIInChI=1S/C8H5ClN4/c1-5-6(4-10)11-8-3-2-7(9)12-13(5)8/h2-3H,1H3
InChIKeyKAGJWTSVKDHCTI-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.56
Rot. Bonds

About 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile

6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile (PubChem CID 90135335) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile
PubChem CID90135335
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(Cl)nn12
InChIInChI=1S/C8H5ClN4/c1-5-6(4-10)11-8-3-2-7(9)12-13(5)8/h2-3H,1H3
InChIKeyKAGJWTSVKDHCTI-UHFFFAOYSA-N
XLogP1.56
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
The IUPAC name of 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile (CID 90135335) is 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile.
What is the SMILES notation for 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
The canonical SMILES for 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile is Cc1c(C#N)nc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
The InChIKey is KAGJWTSVKDHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c1-5-6(4-10)11-8-3-2-7(9)12-13(5)8/h2-3H,1H3.
What are the key properties of 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile is sourced from PubChem (CID 90135335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).