(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine

C11H14N8S — CID 80924900

IUPAC(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ncccn2)nc(N2CCCC2)n1
InChIInChI=1S/C11H14N8S/c12-18-8-15-9(19-6-1-2-7-19)17-11(16-8)20-10-13-4-3-5-14-10/h3-5H,1-2,6-7,12H2,(H,15,16,17,18)
InChIKeyZNOQPTYCHXFMNL-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.70
Rot. Bonds4

About (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine

(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80924900) has the molecular formula C11H14N8S and a molecular weight of 290.36 g/mol. Its IUPAC name is (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80924900
Molecular FormulaC11H14N8S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ncccn2)nc(N2CCCC2)n1
InChIInChI=1S/C11H14N8S/c12-18-8-15-9(19-6-1-2-7-19)17-11(16-8)20-10-13-4-3-5-14-10/h3-5H,1-2,6-7,12H2,(H,15,16,17,18)
InChIKeyZNOQPTYCHXFMNL-UHFFFAOYSA-N
XLogP0.70
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80922351
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925437
[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406
(4-morpholin-4-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80920561
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
CID 146082608

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80924900) is (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(Sc2ncccn2)nc(N2CCCC2)n1.
What is the InChIKey of (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is ZNOQPTYCHXFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8S/c12-18-8-15-9(19-6-1-2-7-19)17-11(16-8)20-10-13-4-3-5-14-10/h3-5H,1-2,6-7,12H2,(H,15,16,17,18).
What are the key properties of (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 290.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80924900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).