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

C13H14N6S — CID 12915214

IUPAC(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESCc1cc(NN)n2nc(SCc3ccccc3)nc2n1
InChIInChI=1S/C13H14N6S/c1-9-7-11(17-14)19-12(15-9)16-13(18-19)20-8-10-5-3-2-4-6-10/h2-7,17H,8,14H2,1H3
InChIKeyJNEHDCMTCRGIPL-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.01
Rot. Bonds4

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

(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine (PubChem CID 12915214) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine.

Molecular Properties

Compound Name(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
PubChem CID12915214
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
SMILESCc1cc(NN)n2nc(SCc3ccccc3)nc2n1
InChIInChI=1S/C13H14N6S/c1-9-7-11(17-14)19-12(15-9)16-13(18-19)20-8-10-5-3-2-4-6-10/h2-7,17H,8,14H2,1H3
InChIKeyJNEHDCMTCRGIPL-UHFFFAOYSA-N
XLogP2.01
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.01
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'}

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Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The IUPAC name of (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine (CID 12915214) is (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine.
What is the SMILES notation for (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The canonical SMILES for (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine is Cc1cc(NN)n2nc(SCc3ccccc3)nc2n1.
What is the InChIKey of (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
The InChIKey is JNEHDCMTCRGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-9-7-11(17-14)19-12(15-9)16-13(18-19)20-8-10-5-3-2-4-6-10/h2-7,17H,8,14H2,1H3.
What are the key properties of (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine?
(2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine has a molecular weight of 286.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine is sourced from PubChem (CID 12915214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).