(5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine

C9H12N6S — CID 155526083

IUPAC(5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESC=CCSc1nc2nc(C)cc(NN)n2n1
InChIInChI=1S/C9H12N6S/c1-3-4-16-9-12-8-11-6(2)5-7(13-10)15(8)14-9/h3,5,13H,1,4,10H2,2H3
InChIKeyHFSPFYNVZWOFGG-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.00
Rot. Bonds4

About (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine

(5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine (PubChem CID 155526083) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
PubChem CID155526083
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name(5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESC=CCSc1nc2nc(C)cc(NN)n2n1
InChIInChI=1S/C9H12N6S/c1-3-4-16-9-12-8-11-6(2)5-7(13-10)15(8)14-9/h3,5,13H,1,4,10H2,2H3
InChIKeyHFSPFYNVZWOFGG-UHFFFAOYSA-N
XLogP1.00
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The IUPAC name of (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine (CID 155526083) is (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The canonical SMILES for (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine is C=CCSc1nc2nc(C)cc(NN)n2n1.
What is the InChIKey of (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The InChIKey is HFSPFYNVZWOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-3-4-16-9-12-8-11-6(2)5-7(13-10)15(8)14-9/h3,5,13H,1,4,10H2,2H3.
What are the key properties of (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
(5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine has a molecular weight of 236.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine is sourced from PubChem (CID 155526083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).