3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide

C12H22N6 — CID 103189183

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CC)C(C)CN(C)C
InChIInChI=1S/C12H22N6/c1-5-18(9(2)8-17(3)4)12-10(11(13)14)15-6-7-16-12/h6-7,9H,5,8H2,1-4H3,(H3,13,14)
InChIKeyWPBBAVPBWGORCA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.54
Rot. Bonds6

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide

3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide (PubChem CID 103189183) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
PubChem CID103189183
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CC)C(C)CN(C)C
InChIInChI=1S/C12H22N6/c1-5-18(9(2)8-17(3)4)12-10(11(13)14)15-6-7-16-12/h6-7,9H,5,8H2,1-4H3,(H3,13,14)
InChIKeyWPBBAVPBWGORCA-UHFFFAOYSA-N
XLogP0.54
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide (CID 103189183) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(CC)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide?
The InChIKey is WPBBAVPBWGORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-5-18(9(2)8-17(3)4)12-10(11(13)14)15-6-7-16-12/h6-7,9H,5,8H2,1-4H3,(H3,13,14).
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide?
3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide is sourced from PubChem (CID 103189183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).