3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide

C13H20N6 — CID 79174986

IUPAC3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H20N6/c1-18-9-2-3-10(18)8-19(7-4-9)13-11(12(14)15)16-5-6-17-13/h5-6,9-10H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyLMDCKBHIVDATGK-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.43
Rot. Bonds2

About 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide

3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide (PubChem CID 79174986) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide
PubChem CID79174986
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H20N6/c1-18-9-2-3-10(18)8-19(7-4-9)13-11(12(14)15)16-5-6-17-13/h5-6,9-10H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyLMDCKBHIVDATGK-UHFFFAOYSA-N
XLogP0.43
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.43
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-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide (CID 79174986) is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCC2CCC(C1)N2C.
What is the InChIKey of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide?
The InChIKey is LMDCKBHIVDATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18-9-2-3-10(18)8-19(7-4-9)13-11(12(14)15)16-5-6-17-13/h5-6,9-10H,2-4,7-8H2,1H3,(H3,14,15).
What are the key properties of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide?
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 79174986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).