4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione

C10H13N5O2 — CID 79827948

IUPAC4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(N)c(N)n1
InChIInChI=1S/C10H13N5O2/c1-5-10(17)14-8(16)4-15(5)7-3-2-6(11)9(12)13-7/h2-3,5H,4,11H2,1H3,(H2,12,13)(H,14,16,17)
InChIKeyHNWQSEHVZNYXMR-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.90
Rot. Bonds1

About 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione

4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione (PubChem CID 79827948) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
PubChem CID79827948
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(N)c(N)n1
InChIInChI=1S/C10H13N5O2/c1-5-10(17)14-8(16)4-15(5)7-3-2-6(11)9(12)13-7/h2-3,5H,4,11H2,1H3,(H2,12,13)(H,14,16,17)
InChIKeyHNWQSEHVZNYXMR-UHFFFAOYSA-N
XLogP-0.90
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione (CID 79827948) is 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1ccc(N)c(N)n1.
What is the InChIKey of 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione?
The InChIKey is HNWQSEHVZNYXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5-10(17)14-8(16)4-15(5)7-3-2-6(11)9(12)13-7/h2-3,5H,4,11H2,1H3,(H2,12,13)(H,14,16,17).
What are the key properties of 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione?
4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione has a molecular weight of 235.25 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 79827948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).