3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride

C4H10ClN6- — CID 23010479

IUPAC3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride
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/p-1
InChIKeyIWXDDIXEBYFDMB-UHFFFAOYSA-M
MW177.62 g/mol
LogP-4.16
Rot. Bonds2

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

3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride (PubChem CID 23010479) has the molecular formula C4H10ClN6- and a molecular weight of 177.62 g/mol. Its IUPAC name is 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride.

Molecular Properties

Compound Name3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride
PubChem CID23010479
Molecular FormulaC4H10ClN6-
Molecular Weight177.62 g/mol
Exact Mass177.07
IUPAC Name3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride
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/p-1
InChIKeyIWXDDIXEBYFDMB-UHFFFAOYSA-M
XLogP-4.16
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.62
LogP ≤ 5-4.16
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 chloride?
The IUPAC name of 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride (CID 23010479) is 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride.
What is the SMILES notation for 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride?
The canonical SMILES for 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride is CCc1nnc(NN)n1N.[Cl-].
What is the InChIKey of 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride?
The InChIKey is IWXDDIXEBYFDMB-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride?
3-ethyl-5-hydrazinyl-1,2,4-triazol-4-amine chloride has a molecular weight of 177.62 g/mol, XLogP of -4.16, 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 chloride is sourced from PubChem (CID 23010479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).