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

C12H22N6S — CID 80924912

IUPAC(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCC(C)Sc1nc(NN)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6S/c1-3-9(2)19-12-15-10(17-13)14-11(16-12)18-7-5-4-6-8-18/h9H,3-8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyLTTLEXDGVLKESN-UHFFFAOYSA-N
MW282.42 g/mol
LogP2.04
Rot. Bonds5

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

(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80924912) has the molecular formula C12H22N6S and a molecular weight of 282.42 g/mol. Its IUPAC name is (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80924912
Molecular FormulaC12H22N6S
Molecular Weight282.42 g/mol
Exact Mass282.16
IUPAC Name(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESCCC(C)Sc1nc(NN)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6S/c1-3-9(2)19-12-15-10(17-13)14-11(16-12)18-7-5-4-6-8-18/h9H,3-8,13H2,1-2H3,(H,14,15,16,17)
InChIKeyLTTLEXDGVLKESN-UHFFFAOYSA-N
XLogP2.04
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 52.04
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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Related Compounds

(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 80944115
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80929189
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
(4-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80924912) is (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine is CCC(C)Sc1nc(NN)nc(N2CCCCC2)n1.
What is the InChIKey of (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is LTTLEXDGVLKESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6S/c1-3-9(2)19-12-15-10(17-13)14-11(16-12)18-7-5-4-6-8-18/h9H,3-8,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 282.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80924912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).