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

C12H16N8S — CID 80928949

IUPAC(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ccncn2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H16N8S/c13-19-10-16-11(20-6-2-1-3-7-20)18-12(17-10)21-9-4-5-14-8-15-9/h4-5,8H,1-3,6-7,13H2,(H,16,17,18,19)
InChIKeyAXTOIZROZMOLFM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.09
Rot. Bonds4

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

(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80928949) has the molecular formula C12H16N8S and a molecular weight of 304.38 g/mol. Its IUPAC name is (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80928949
Molecular FormulaC12H16N8S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ccncn2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H16N8S/c13-19-10-16-11(20-6-2-1-3-7-20)18-12(17-10)21-9-4-5-14-8-15-9/h4-5,8H,1-3,6-7,13H2,(H,16,17,18,19)
InChIKeyAXTOIZROZMOLFM-UHFFFAOYSA-N
XLogP1.09
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.09
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-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80929083
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80922351
(4-morpholin-4-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80920561
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
(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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
2-pyridin-2-ylsulfanyl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
CID 146082608
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80928949) is (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(Sc2ccncn2)nc(N2CCCCC2)n1.
What is the InChIKey of (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is AXTOIZROZMOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8S/c13-19-10-16-11(20-6-2-1-3-7-20)18-12(17-10)21-9-4-5-14-8-15-9/h4-5,8H,1-3,6-7,13H2,(H,16,17,18,19).
What are the key properties of (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 304.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80928949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).