[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine

C9H14N4S2 — CID 105249199

IUPAC[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
SMILESNNC(c1cncnc1)C1CSCCS1
InChIInChI=1S/C9H14N4S2/c10-13-9(7-3-11-6-12-4-7)8-5-14-1-2-15-8/h3-4,6,8-9,13H,1-2,5,10H2
InChIKeyNOHAUMYJRPCMDU-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.83
Rot. Bonds3

About [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine

[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine (PubChem CID 105249199) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
PubChem CID105249199
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
SMILESNNC(c1cncnc1)C1CSCCS1
InChIInChI=1S/C9H14N4S2/c10-13-9(7-3-11-6-12-4-7)8-5-14-1-2-15-8/h3-4,6,8-9,13H,1-2,5,10H2
InChIKeyNOHAUMYJRPCMDU-UHFFFAOYSA-N
XLogP0.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105249449
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105249366
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105249262
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249432
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
[7-bicyclo[4.1.0]heptanyl(pyrimidin-5-yl)methyl]hydrazine
CID 105292201
[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249350
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105261200

Frequently Asked Questions

What is the IUPAC name of [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine?
The IUPAC name of [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine (CID 105249199) is [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine.
What is the SMILES notation for [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine?
The canonical SMILES for [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine is NNC(c1cncnc1)C1CSCCS1.
What is the InChIKey of [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine?
The InChIKey is NOHAUMYJRPCMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/c10-13-9(7-3-11-6-12-4-7)8-5-14-1-2-15-8/h3-4,6,8-9,13H,1-2,5,10H2.
What are the key properties of [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine?
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine has a molecular weight of 242.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine is sourced from PubChem (CID 105249199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).