[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine

C9H12N6S — CID 80514528

IUPAC[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCc1nnc(Sc2nnccc2CN)n1C
InChIInChI=1S/C9H12N6S/c1-6-12-14-9(15(6)2)16-8-7(5-10)3-4-11-13-8/h3-4H,5,10H2,1-2H3
InChIKeyFBBXJRCSNNNVKS-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.52
Rot. Bonds3

About [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine

[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine (PubChem CID 80514528) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
PubChem CID80514528
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
SMILESCc1nnc(Sc2nnccc2CN)n1C
InChIInChI=1S/C9H12N6S/c1-6-12-14-9(15(6)2)16-8-7(5-10)3-4-11-13-8/h3-4H,5,10H2,1-2H3
InChIKeyFBBXJRCSNNNVKS-UHFFFAOYSA-N
XLogP0.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine (CID 80514528) is [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine is Cc1nnc(Sc2nnccc2CN)n1C.
What is the InChIKey of [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
The InChIKey is FBBXJRCSNNNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-6-12-14-9(15(6)2)16-8-7(5-10)3-4-11-13-8/h3-4H,5,10H2,1-2H3.
What are the key properties of [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine?
[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine has a molecular weight of 236.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80514528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).