[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

C12H17ClN6 — CID 105252827

IUPAC[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN6/c1-8(2)19-12(16-7-17-19)6-10(18-14)9-3-4-15-11(13)5-9/h3-5,7-8,10,18H,6,14H2,1-2H3
InChIKeyYVEZFBVTGWQCLA-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.65
Rot. Bonds5

About [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105252827) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105252827
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN6/c1-8(2)19-12(16-7-17-19)6-10(18-14)9-3-4-15-11(13)5-9/h3-5,7-8,10,18H,6,14H2,1-2H3
InChIKeyYVEZFBVTGWQCLA-UHFFFAOYSA-N
XLogP1.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317276
[1-(4-fluoro-3-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105204160
[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317416
[1-(5-chlorofuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106694528
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
[1-(5-methyl-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317393
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211662
[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine
CID 105252599
[1-(2-chloro-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105252663
[1-(2-ethylfuran-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114104828
[1-(2-chloro-4-pyridinyl)-2-propan-2-yloxyethyl]hydrazine
CID 105252867
[1-(2-chloro-4-pyridinyl)-3-methylpentyl]hydrazine
CID 105252813

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105252827) is [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is CC(C)n1ncnc1CC(NN)c1ccnc(Cl)c1.
What is the InChIKey of [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is YVEZFBVTGWQCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-8(2)19-12(16-7-17-19)6-10(18-14)9-3-4-15-11(13)5-9/h3-5,7-8,10,18H,6,14H2,1-2H3.
What are the key properties of [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 280.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105252827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).