1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine

C9H17N5 — CID 123457613

IUPAC1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine
SMILESC=CCN(N)c1n[nH]c(C(C)CC)n1
InChIInChI=1S/C9H17N5/c1-4-6-14(10)9-11-8(12-13-9)7(3)5-2/h4,7H,1,5-6,10H2,2-3H3,(H,11,12,13)
InChIKeyAQXMMPPMHFWUQE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.18
Rot. Bonds5

About 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine

1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine (PubChem CID 123457613) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine.

Molecular Properties

Compound Name1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine
PubChem CID123457613
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine
SMILESC=CCN(N)c1n[nH]c(C(C)CC)n1
InChIInChI=1S/C9H17N5/c1-4-6-14(10)9-11-8(12-13-9)7(3)5-2/h4,7H,1,5-6,10H2,2-3H3,(H,11,12,13)
InChIKeyAQXMMPPMHFWUQE-UHFFFAOYSA-N
XLogP1.18
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine?
The IUPAC name of 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine (CID 123457613) is 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine.
What is the SMILES notation for 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine?
The canonical SMILES for 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine is C=CCN(N)c1n[nH]c(C(C)CC)n1.
What is the InChIKey of 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine?
The InChIKey is AQXMMPPMHFWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-6-14(10)9-11-8(12-13-9)7(3)5-2/h4,7H,1,5-6,10H2,2-3H3,(H,11,12,13).
What are the key properties of 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine?
1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine has a molecular weight of 195.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-1-prop-2-enylhydrazine is sourced from PubChem (CID 123457613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).