5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane

C12H22N4O — CID 155778320

IUPAC5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane
SMILESCC.CC(=O)CCCN(N)c1ncccc1N
InChIInChI=1S/C10H16N4O.C2H6/c1-8(15)4-3-7-14(12)10-9(11)5-2-6-13-10;1-2/h2,5-6H,3-4,7,11-12H2,1H3;1-2H3
InChIKeyFCLPQEGYDQPDIY-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.74
Rot. Bonds5

About 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane

5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane (PubChem CID 155778320) has the molecular formula C12H22N4O and a molecular weight of 238.34 g/mol. Its IUPAC name is 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane.

Molecular Properties

Compound Name5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane
PubChem CID155778320
Molecular FormulaC12H22N4O
Molecular Weight238.34 g/mol
Exact Mass238.18
IUPAC Name5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane
SMILESCC.CC(=O)CCCN(N)c1ncccc1N
InChIInChI=1S/C10H16N4O.C2H6/c1-8(15)4-3-7-14(12)10-9(11)5-2-6-13-10;1-2/h2,5-6H,3-4,7,11-12H2,1H3;1-2H3
InChIKeyFCLPQEGYDQPDIY-UHFFFAOYSA-N
XLogP1.74
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane?
The IUPAC name of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane (CID 155778320) is 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane.
What is the SMILES notation for 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane?
The canonical SMILES for 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane is CC.CC(=O)CCCN(N)c1ncccc1N.
What is the InChIKey of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane?
The InChIKey is FCLPQEGYDQPDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.C2H6/c1-8(15)4-3-7-14(12)10-9(11)5-2-6-13-10;1-2/h2,5-6H,3-4,7,11-12H2,1H3;1-2H3.
What are the key properties of 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane?
5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane has a molecular weight of 238.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-amino-2-pyridinyl)amino]pentan-2-one;ethane is sourced from PubChem (CID 155778320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).