1-(2H-triazol-4-yl)but-3-ynylhydrazine

C6H9N5 — CID 105254798

IUPAC1-(2H-triazol-4-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cn[nH]n1
InChIInChI=1S/C6H9N5/c1-2-3-5(9-7)6-4-8-11-10-6/h1,4-5,9H,3,7H2,(H,8,10,11)
InChIKeyQBFHOFDZBFXDHG-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.67
Rot. Bonds3

About 1-(2H-triazol-4-yl)but-3-ynylhydrazine

1-(2H-triazol-4-yl)but-3-ynylhydrazine (PubChem CID 105254798) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)but-3-ynylhydrazine
PubChem CID105254798
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name1-(2H-triazol-4-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cn[nH]n1
InChIInChI=1S/C6H9N5/c1-2-3-5(9-7)6-4-8-11-10-6/h1,4-5,9H,3,7H2,(H,8,10,11)
InChIKeyQBFHOFDZBFXDHG-UHFFFAOYSA-N
XLogP-0.67
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.67
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-phenyl-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 105254603
[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine
CID 105254737
[2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 107066305
[cyclopropyl(2H-triazol-4-yl)methyl]hydrazine
CID 105254611
1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
CID 105228420
3-amino-3-(2H-triazol-4-yl)propanenitrile
CID 90050590
1-(5-methylpyrazin-2-yl)pent-4-ynylhydrazine
CID 105307917
1-(3,5-dichloro-2-pyridinyl)but-3-ynylhydrazine
CID 105248733
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 105254865
1-(2-methyl-3-pyridinyl)but-3-ynylhydrazine
CID 105281507
1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
CID 105281540
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586

Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)but-3-ynylhydrazine?
The IUPAC name of 1-(2H-triazol-4-yl)but-3-ynylhydrazine (CID 105254798) is 1-(2H-triazol-4-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(2H-triazol-4-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(2H-triazol-4-yl)but-3-ynylhydrazine is C#CCC(NN)c1cn[nH]n1.
What is the InChIKey of 1-(2H-triazol-4-yl)but-3-ynylhydrazine?
The InChIKey is QBFHOFDZBFXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-3-5(9-7)6-4-8-11-10-6/h1,4-5,9H,3,7H2,(H,8,10,11).
What are the key properties of 1-(2H-triazol-4-yl)but-3-ynylhydrazine?
1-(2H-triazol-4-yl)but-3-ynylhydrazine has a molecular weight of 151.17 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)but-3-ynylhydrazine is sourced from PubChem (CID 105254798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).