3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride

C4H11ClN6 — CID 22693711

IUPAC3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride
SMILESCCc1nnc(NN)n1N.Cl
InChIInChI=1S/C4H10N6.ClH/c1-2-3-8-9-4(7-5)10(3)6;/h2,5-6H2,1H3,(H,7,9);1H
InChIKeyIWXDDIXEBYFDMB-UHFFFAOYSA-N
MW178.63 g/mol
LogP-0.74
Rot. Bonds2

About 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride

3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride (PubChem CID 22693711) has the molecular formula C4H11ClN6 and a molecular weight of 178.63 g/mol. Its IUPAC name is 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride
PubChem CID22693711
Molecular FormulaC4H11ClN6
Molecular Weight178.63 g/mol
Exact Mass178.07
IUPAC Name3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride
SMILESCCc1nnc(NN)n1N.Cl
InChIInChI=1S/C4H10N6.ClH/c1-2-3-8-9-4(7-5)10(3)6;/h2,5-6H2,1H3,(H,7,9);1H
InChIKeyIWXDDIXEBYFDMB-UHFFFAOYSA-N
XLogP-0.74
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.63
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
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 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride?
The IUPAC name of 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride (CID 22693711) is 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride.
What is the SMILES notation for 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride?
The canonical SMILES for 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride is CCc1nnc(NN)n1N.Cl.
What is the InChIKey of 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride?
The InChIKey is IWXDDIXEBYFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6.ClH/c1-2-3-8-9-4(7-5)10(3)6;/h2,5-6H2,1H3,(H,7,9);1H.
What are the key properties of 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride?
3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride has a molecular weight of 178.63 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine;hydrochloride is sourced from PubChem (CID 22693711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).