1-pyridin-2-ylbut-3-yn-2-ylhydrazine

C9H11N3 — CID 105199857

IUPAC1-pyridin-2-ylbut-3-yn-2-ylhydrazine
SMILESC#CC(Cc1ccccn1)NN
InChIInChI=1S/C9H11N3/c1-2-8(12-10)7-9-5-3-4-6-11-9/h1,3-6,8,12H,7,10H2
InChIKeyFKVHOPTYCQFBJO-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.09
Rot. Bonds3

About 1-pyridin-2-ylbut-3-yn-2-ylhydrazine

1-pyridin-2-ylbut-3-yn-2-ylhydrazine (PubChem CID 105199857) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-pyridin-2-ylbut-3-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-pyridin-2-ylbut-3-yn-2-ylhydrazine
PubChem CID105199857
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-pyridin-2-ylbut-3-yn-2-ylhydrazine
SMILESC#CC(Cc1ccccn1)NN
InChIInChI=1S/C9H11N3/c1-2-8(12-10)7-9-5-3-4-6-11-9/h1,3-6,8,12H,7,10H2
InChIKeyFKVHOPTYCQFBJO-UHFFFAOYSA-N
XLogP0.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105215565
(1,1-difluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105264970
(4-methyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105198827
1-pyridin-2-ylpentan-2-ylhydrazine
CID 105199777
(3,4-dimethyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315374
1-pyridin-2-ylhept-6-yn-3-ylhydrazine
CID 105307905
(5-methyl-1-pyridin-2-ylhexan-2-yl)hydrazine
CID 105199745
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(2-pyridin-2-yl-1-quinoxalin-5-ylethyl)hydrazine
CID 105315352
[1-(5-chlorofuran-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 106694506
[1-(2-methylcyclopropyl)-2-pyridin-2-ylethyl]hydrazine
CID 105234753
(2-pyridin-2-yl-1-pyrimidin-4-ylethyl)hydrazine
CID 105220883

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylbut-3-yn-2-ylhydrazine?
The IUPAC name of 1-pyridin-2-ylbut-3-yn-2-ylhydrazine (CID 105199857) is 1-pyridin-2-ylbut-3-yn-2-ylhydrazine.
What is the SMILES notation for 1-pyridin-2-ylbut-3-yn-2-ylhydrazine?
The canonical SMILES for 1-pyridin-2-ylbut-3-yn-2-ylhydrazine is C#CC(Cc1ccccn1)NN.
What is the InChIKey of 1-pyridin-2-ylbut-3-yn-2-ylhydrazine?
The InChIKey is FKVHOPTYCQFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-8(12-10)7-9-5-3-4-6-11-9/h1,3-6,8,12H,7,10H2.
What are the key properties of 1-pyridin-2-ylbut-3-yn-2-ylhydrazine?
1-pyridin-2-ylbut-3-yn-2-ylhydrazine has a molecular weight of 161.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylbut-3-yn-2-ylhydrazine is sourced from PubChem (CID 105199857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).