(3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide

C15H26N6O — CID 164987526

IUPAC(3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(c1c(C)nn(C)c1C)N(C)C)N1CCOC[C@H]1C
InChIInChI=1S/C15H26N6O/c1-10-9-22-8-7-21(10)15(16)17-14(19(4)5)13-11(2)18-20(6)12(13)3/h10,16H,7-9H2,1-6H3/b16-15-,17-14?/t10-/m1/s1
InChIKeyGJIJQRJLQBRZFR-RRSBVUTCSA-N
MW306.41 g/mol
LogP1.00
Rot. Bonds1

About (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide

(3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide (PubChem CID 164987526) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide
PubChem CID164987526
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name(3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(c1c(C)nn(C)c1C)N(C)C)N1CCOC[C@H]1C
InChIInChI=1S/C15H26N6O/c1-10-9-22-8-7-21(10)15(16)17-14(19(4)5)13-11(2)18-20(6)12(13)3/h10,16H,7-9H2,1-6H3/b16-15-,17-14?/t10-/m1/s1
InChIKeyGJIJQRJLQBRZFR-RRSBVUTCSA-N
XLogP1.00
TPSA69.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide?
The IUPAC name of (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide (CID 164987526) is (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide.
What is the SMILES notation for (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide?
The canonical SMILES for (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide is [H]/N=C(/N=C(c1c(C)nn(C)c1C)N(C)C)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide?
The InChIKey is GJIJQRJLQBRZFR-RRSBVUTCSA-N. The full InChI is InChI=1S/C15H26N6O/c1-10-9-22-8-7-21(10)15(16)17-14(19(4)5)13-11(2)18-20(6)12(13)3/h10,16H,7-9H2,1-6H3/b16-15-,17-14?/t10-/m1/s1.
What are the key properties of (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide?
(3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide has a molecular weight of 306.41 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[dimethylamino-(1,3,5-trimethylpyrazol-4-yl)methylidene]-3-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 164987526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).