[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C10H14N8S2 — CID 80923798

IUPAC[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCc1nnc(Sc2nc(NN)nc(N3CCCC3)n2)s1
InChIInChI=1S/C10H14N8S2/c1-6-16-17-10(19-6)20-9-13-7(15-11)12-8(14-9)18-4-2-3-5-18/h2-5,11H2,1H3,(H,12,13,14,15)
InChIKeyMZFDIGSONGXQQJ-UHFFFAOYSA-N
MW310.41 g/mol
LogP1.07
Rot. Bonds4

About [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80923798) has the molecular formula C10H14N8S2 and a molecular weight of 310.41 g/mol. Its IUPAC name is [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80923798
Molecular FormulaC10H14N8S2
Molecular Weight310.41 g/mol
Exact Mass310.08
IUPAC Name[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCc1nnc(Sc2nc(NN)nc(N3CCCC3)n2)s1
InChIInChI=1S/C10H14N8S2/c1-6-16-17-10(19-6)20-9-13-7(15-11)12-8(14-9)18-4-2-3-5-18/h2-5,11H2,1H3,(H,12,13,14,15)
InChIKeyMZFDIGSONGXQQJ-UHFFFAOYSA-N
XLogP1.07
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-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-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80929189
(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925437
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
N-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80894979
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80922351
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80923798) is [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is Cc1nnc(Sc2nc(NN)nc(N3CCCC3)n2)s1.
What is the InChIKey of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is MZFDIGSONGXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8S2/c1-6-16-17-10(19-6)20-9-13-7(15-11)12-8(14-9)18-4-2-3-5-18/h2-5,11H2,1H3,(H,12,13,14,15).
What are the key properties of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 310.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80923798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).