3-[butyl(methyl)amino]pyrazine-2-carboximidamide

C10H17N5 — CID 62684705

IUPAC3-[butyl(methyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)CCCC
InChIInChI=1S/C10H17N5/c1-3-4-7-15(2)10-8(9(11)12)13-5-6-14-10/h5-6H,3-4,7H2,1-2H3,(H3,11,12)
InChIKeyLKOFRRUDGZFTRI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds5

About 3-[butyl(methyl)amino]pyrazine-2-carboximidamide

3-[butyl(methyl)amino]pyrazine-2-carboximidamide (PubChem CID 62684705) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]pyrazine-2-carboximidamide
PubChem CID62684705
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3-[butyl(methyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)CCCC
InChIInChI=1S/C10H17N5/c1-3-4-7-15(2)10-8(9(11)12)13-5-6-14-10/h5-6H,3-4,7H2,1-2H3,(H3,11,12)
InChIKeyLKOFRRUDGZFTRI-UHFFFAOYSA-N
XLogP1.00
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
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 3-[butyl(methyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[butyl(methyl)amino]pyrazine-2-carboximidamide (CID 62684705) is 3-[butyl(methyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[butyl(methyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[butyl(methyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(C)CCCC.
What is the InChIKey of 3-[butyl(methyl)amino]pyrazine-2-carboximidamide?
The InChIKey is LKOFRRUDGZFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-4-7-15(2)10-8(9(11)12)13-5-6-14-10/h5-6H,3-4,7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[butyl(methyl)amino]pyrazine-2-carboximidamide?
3-[butyl(methyl)amino]pyrazine-2-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 62684705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).