[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine

C9H17N5S — CID 62245357

IUPAC[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESCCC1CCCN1Cc1nnsc1NN
InChIInChI=1S/C9H17N5S/c1-2-7-4-3-5-14(7)6-8-9(11-10)15-13-12-8/h7,11H,2-6,10H2,1H3
InChIKeyHNEJPVQFVACUNZ-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.20
Rot. Bonds4

About [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine

[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245357) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245357
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESCCC1CCCN1Cc1nnsc1NN
InChIInChI=1S/C9H17N5S/c1-2-7-4-3-5-14(7)6-8-9(11-10)15-13-12-8/h7,11H,2-6,10H2,1H3
InChIKeyHNEJPVQFVACUNZ-UHFFFAOYSA-N
XLogP1.20
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine (CID 62245357) is [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine is CCC1CCCN1Cc1nnsc1NN.
What is the InChIKey of [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is HNEJPVQFVACUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-2-7-4-3-5-14(7)6-8-9(11-10)15-13-12-8/h7,11H,2-6,10H2,1H3.
What are the key properties of [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 227.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).