[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine

C8H10N6S — CID 80514737

IUPAC[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCn1cnnc1Sc1nnccc1CN
InChIInChI=1S/C8H10N6S/c1-14-5-11-13-8(14)15-7-6(4-9)2-3-10-12-7/h2-3,5H,4,9H2,1H3
InChIKeyFNIDWBKHOXYYBX-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.22
Rot. Bonds3

About [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine

[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine (PubChem CID 80514737) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
PubChem CID80514737
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCn1cnnc1Sc1nnccc1CN
InChIInChI=1S/C8H10N6S/c1-14-5-11-13-8(14)15-7-6(4-9)2-3-10-12-7/h2-3,5H,4,9H2,1H3
InChIKeyFNIDWBKHOXYYBX-UHFFFAOYSA-N
XLogP0.22
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine (CID 80514737) is [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine is Cn1cnnc1Sc1nnccc1CN.
What is the InChIKey of [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
The InChIKey is FNIDWBKHOXYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c1-14-5-11-13-8(14)15-7-6(4-9)2-3-10-12-7/h2-3,5H,4,9H2,1H3.
What are the key properties of [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine has a molecular weight of 222.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80514737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).