[1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

C16H27N5 — CID 105316622

IUPAC[1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCn1ncnc1CC(CC12CC3CC(CC(C3)C1)C2)NN
InChIInChI=1S/C16H27N5/c1-21-15(18-10-19-21)5-14(20-17)9-16-6-11-2-12(7-16)4-13(3-11)8-16/h10-14,20H,2-9,17H2,1H3
InChIKeyUVXKHZUQJVXYKQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.80
Rot. Bonds5

About [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

[1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105316622) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105316622
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name[1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCn1ncnc1CC(CC12CC3CC(CC(C3)C1)C2)NN
InChIInChI=1S/C16H27N5/c1-21-15(18-10-19-21)5-14(20-17)9-16-6-11-2-12(7-16)4-13(3-11)8-16/h10-14,20H,2-9,17H2,1H3
InChIKeyUVXKHZUQJVXYKQ-UHFFFAOYSA-N
XLogP1.80
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
[4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 103025371
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242962
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209742
[1-(2-methyl-1,2,4-triazol-3-yl)-3-naphthalen-1-ylpropan-2-yl]hydrazine
CID 105316461
[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204984
[1-(2-methylcyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107194210
1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243444
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
[1-(3-chloro-2-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105264351
[1-(5-methylpyrazin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316546

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105316622) is [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is Cn1ncnc1CC(CC12CC3CC(CC(C3)C1)C2)NN.
What is the InChIKey of [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is UVXKHZUQJVXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-21-15(18-10-19-21)5-14(20-17)9-16-6-11-2-12(7-16)4-13(3-11)8-16/h10-14,20H,2-9,17H2,1H3.
What are the key properties of [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 289.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105316622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).