(5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine

C4H9N5 — CID 13046498

IUPAC(5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine
SMILESCCc1nc(NN)n[nH]1
InChIInChI=1S/C4H9N5/c1-2-3-6-4(7-5)9-8-3/h2,5H2,1H3,(H2,6,7,8,9)
InChIKeyMKBANHDYXWZZRO-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.35
Rot. Bonds2

About (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine

(5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine (PubChem CID 13046498) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine.

Molecular Properties

Compound Name(5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine
PubChem CID13046498
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name(5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine
SMILESCCc1nc(NN)n[nH]1
InChIInChI=1S/C4H9N5/c1-2-3-6-4(7-5)9-8-3/h2,5H2,1H3,(H2,6,7,8,9)
InChIKeyMKBANHDYXWZZRO-UHFFFAOYSA-N
XLogP-0.35
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine?
The IUPAC name of (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine (CID 13046498) is (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine.
What is the SMILES notation for (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine?
The canonical SMILES for (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine is CCc1nc(NN)n[nH]1.
What is the InChIKey of (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine?
The InChIKey is MKBANHDYXWZZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-2-3-6-4(7-5)9-8-3/h2,5H2,1H3,(H2,6,7,8,9).
What are the key properties of (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine?
(5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine has a molecular weight of 127.15 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-1,2,4-triazol-3-yl)hydrazine is sourced from PubChem (CID 13046498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).