[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine

C9H18N6S — CID 62245571

IUPAC[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESCN1CCCN(Cc2nnsc2NN)CC1
InChIInChI=1S/C9H18N6S/c1-14-3-2-4-15(6-5-14)7-8-9(11-10)16-13-12-8/h11H,2-7,10H2,1H3
InChIKeyOKHYXIFOQNLIGU-UHFFFAOYSA-N
MW242.35 g/mol
LogP-0.04
Rot. Bonds3

About [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245571) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245571
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC Name[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESCN1CCCN(Cc2nnsc2NN)CC1
InChIInChI=1S/C9H18N6S/c1-14-3-2-4-15(6-5-14)7-8-9(11-10)16-13-12-8/h11H,2-7,10H2,1H3
InChIKeyOKHYXIFOQNLIGU-UHFFFAOYSA-N
XLogP-0.04
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 5-0.04
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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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine (CID 62245571) is [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine is CN1CCCN(Cc2nnsc2NN)CC1.
What is the InChIKey of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is OKHYXIFOQNLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6S/c1-14-3-2-4-15(6-5-14)7-8-9(11-10)16-13-12-8/h11H,2-7,10H2,1H3.
What are the key properties of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 242.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).