1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine

C12H17N3 — CID 106756698

IUPAC1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccnc(C)c1
InChIInChI=1S/C12H17N3/c1-3-4-5-6-12(15-13)11-7-8-14-10(2)9-11/h7-9,12,15H,5-6,13H2,1-2H3
InChIKeyCWZQBDQFCGHTBG-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine

1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine (PubChem CID 106756698) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
PubChem CID106756698
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccnc(C)c1
InChIInChI=1S/C12H17N3/c1-3-4-5-6-12(15-13)11-7-8-14-10(2)9-11/h7-9,12,15H,5-6,13H2,1-2H3
InChIKeyCWZQBDQFCGHTBG-UHFFFAOYSA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.70
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

N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
CID 106755836
1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
CID 105334894
1-(5-methylpyrazin-2-yl)hex-4-ynylhydrazine
CID 105335026
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
[2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756429
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
CID 105335018
[3-(1-methylpyrazol-4-yl)-1-(2-methyl-4-pyridinyl)propyl]hydrazine
CID 106756746
1-(1H-imidazol-2-yl)hex-4-ynylhydrazine
CID 105252218
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
1-thiophen-3-ylhex-4-ynylhydrazine
CID 105196857
1-quinolin-4-ylhex-4-ynylhydrazine
CID 105334903

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine (CID 106756698) is 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccnc(C)c1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine?
The InChIKey is CWZQBDQFCGHTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-5-6-12(15-13)11-7-8-14-10(2)9-11/h7-9,12,15H,5-6,13H2,1-2H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine?
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine has a molecular weight of 203.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine is sourced from PubChem (CID 106756698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).