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

C9H10N6S — CID 155544121

IUPAC(5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESC#CCSc1nc2nc(C)cc(NN)n2n1
InChIInChI=1S/C9H10N6S/c1-3-4-16-9-12-8-11-6(2)5-7(13-10)15(8)14-9/h1,5,13H,4,10H2,2H3
InChIKeyNZURAIMBDJTJEI-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.44
Rot. Bonds3

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

(5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine (PubChem CID 155544121) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is (5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
PubChem CID155544121
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name(5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESC#CCSc1nc2nc(C)cc(NN)n2n1
InChIInChI=1S/C9H10N6S/c1-3-4-16-9-12-8-11-6(2)5-7(13-10)15(8)14-9/h1,5,13H,4,10H2,2H3
InChIKeyNZURAIMBDJTJEI-UHFFFAOYSA-N
XLogP0.44
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The IUPAC name of (5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine (CID 155544121) is (5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine.
What is the SMILES notation for (5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The canonical SMILES for (5-methyl-2-prop-2-ynylsulfanyl-[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-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The InChIKey is NZURAIMBDJTJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-3-4-16-9-12-8-11-6(2)5-7(13-10)15(8)14-9/h1,5,13H,4,10H2,2H3.
What are the key properties of (5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
(5-methyl-2-prop-2-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine has a molecular weight of 234.29 g/mol, XLogP of 0.44, 3 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-ynylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine is sourced from PubChem (CID 155544121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).