3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile

C11H8N4S — CID 168908771

IUPAC3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile
SMILESCc1cccnc1Sc1nnccc1C#N
InChIInChI=1S/C11H8N4S/c1-8-3-2-5-13-10(8)16-11-9(7-12)4-6-14-15-11/h2-6H,1H3
InChIKeyHDHPCONUNTUZPM-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.20
Rot. Bonds2

About 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile

3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile (PubChem CID 168908771) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile
PubChem CID168908771
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile
SMILESCc1cccnc1Sc1nnccc1C#N
InChIInChI=1S/C11H8N4S/c1-8-3-2-5-13-10(8)16-11-9(7-12)4-6-14-15-11/h2-6H,1H3
InChIKeyHDHPCONUNTUZPM-UHFFFAOYSA-N
XLogP2.20
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile (CID 168908771) is 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile is Cc1cccnc1Sc1nnccc1C#N.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile?
The InChIKey is HDHPCONUNTUZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-8-3-2-5-13-10(8)16-11-9(7-12)4-6-14-15-11/h2-6H,1H3.
What are the key properties of 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile?
3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile has a molecular weight of 228.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 168908771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).