N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine

C16H25N5 — CID 80911873

IUPACN-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine
SMILESCC(Nc1cncc(NN)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N5/c1-10(19-14-8-18-9-15(20-14)21-17)16-5-11-2-12(6-16)4-13(3-11)7-16/h8-13H,2-7,17H2,1H3,(H2,19,20,21)
InChIKeyXFVWLVRYFFFPLT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine

N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine (PubChem CID 80911873) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine
PubChem CID80911873
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine
SMILESCC(Nc1cncc(NN)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N5/c1-10(19-14-8-18-9-15(20-14)21-17)16-5-11-2-12(6-16)4-13(3-11)7-16/h8-13H,2-7,17H2,1H3,(H2,19,20,21)
InChIKeyXFVWLVRYFFFPLT-UHFFFAOYSA-N
XLogP2.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.78
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine (CID 80911873) is N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine is CC(Nc1cncc(NN)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine?
The InChIKey is XFVWLVRYFFFPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10(19-14-8-18-9-15(20-14)21-17)16-5-11-2-12(6-16)4-13(3-11)7-16/h8-13H,2-7,17H2,1H3,(H2,19,20,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine?
N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-6-hydrazinylpyrazin-2-amine is sourced from PubChem (CID 80911873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).