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

C6H11N5 — CID 105230523

IUPAC1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ncn[nH]1
InChIInChI=1S/C6H11N5/c1-2-3-5(10-7)6-8-4-9-11-6/h2,4-5,10H,1,3,7H2,(H,8,9,11)
InChIKeyWMZGTGVBXPIZGS-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.11
Rot. Bonds4

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

1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine (PubChem CID 105230523) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine
PubChem CID105230523
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ncn[nH]1
InChIInChI=1S/C6H11N5/c1-2-3-5(10-7)6-8-4-9-11-6/h2,4-5,10H,1,3,7H2,(H,8,9,11)
InChIKeyWMZGTGVBXPIZGS-UHFFFAOYSA-N
XLogP-0.11
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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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Related Compounds

[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
CID 105230310
[3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentyl]hydrazine
CID 105230629
[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230433
[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450
3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 105230663
1-phenylbut-3-enylhydrazine
CID 105199312
[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105230325
1-(2-methyl-3-pyridinyl)but-3-enylhydrazine
CID 105289607
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
1-(3,5-dibromophenyl)but-3-enylhydrazine
CID 107978932

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine (CID 105230523) is 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine is C=CCC(NN)c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine?
The InChIKey is WMZGTGVBXPIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-3-5(10-7)6-8-4-9-11-6/h2,4-5,10H,1,3,7H2,(H,8,9,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine?
1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine has a molecular weight of 153.19 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine is sourced from PubChem (CID 105230523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).