2H-pyran-2,3-dicarboximidamide

C7H10N4O — CID 154417505

IUPAC2H-pyran-2,3-dicarboximidamide
SMILES[H]/N=C(\N)C1=CC=COC1/C(N)=N/[H]
InChIInChI=1S/C7H10N4O/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-3,5H,(H3,8,9)(H3,10,11)
InChIKeyGBTBBUFZSFOKGE-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.30
Rot. Bonds2

About 2H-pyran-2,3-dicarboximidamide

2H-pyran-2,3-dicarboximidamide (PubChem CID 154417505) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2H-pyran-2,3-dicarboximidamide.

Molecular Properties

Compound Name2H-pyran-2,3-dicarboximidamide
PubChem CID154417505
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2H-pyran-2,3-dicarboximidamide
SMILES[H]/N=C(\N)C1=CC=COC1/C(N)=N/[H]
InChIInChI=1S/C7H10N4O/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-3,5H,(H3,8,9)(H3,10,11)
InChIKeyGBTBBUFZSFOKGE-UHFFFAOYSA-N
XLogP-0.30
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,3-dicarboximidamide?
The IUPAC name of 2H-pyran-2,3-dicarboximidamide (CID 154417505) is 2H-pyran-2,3-dicarboximidamide.
What is the SMILES notation for 2H-pyran-2,3-dicarboximidamide?
The canonical SMILES for 2H-pyran-2,3-dicarboximidamide is [H]/N=C(\N)C1=CC=COC1/C(N)=N/[H].
What is the InChIKey of 2H-pyran-2,3-dicarboximidamide?
The InChIKey is GBTBBUFZSFOKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-3,5H,(H3,8,9)(H3,10,11).
What are the key properties of 2H-pyran-2,3-dicarboximidamide?
2H-pyran-2,3-dicarboximidamide has a molecular weight of 166.18 g/mol, XLogP of -0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,3-dicarboximidamide is sourced from PubChem (CID 154417505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).