3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide

C12H21N5 — CID 62685407

IUPAC3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)C(C)CC(C)C
InChIInChI=1S/C12H21N5/c1-8(2)7-9(3)17(4)12-10(11(13)14)15-5-6-16-12/h5-6,8-9H,7H2,1-4H3,(H3,13,14)
InChIKeyOLADTISMDHCCFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds5

About 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide

3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide (PubChem CID 62685407) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide
PubChem CID62685407
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)C(C)CC(C)C
InChIInChI=1S/C12H21N5/c1-8(2)7-9(3)17(4)12-10(11(13)14)15-5-6-16-12/h5-6,8-9H,7H2,1-4H3,(H3,13,14)
InChIKeyOLADTISMDHCCFF-UHFFFAOYSA-N
XLogP1.63
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
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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Related Compounds

3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
CID 103189183
3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
CID 62684546
3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
CID 62684039
3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
CID 112660138
3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
CID 62684888
5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512560
3-[methyl(pyridin-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684211
3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
CID 55227879
3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684033
3-ethoxypyrazine-2-carboximidamide
CID 62685584

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide (CID 62685407) is 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(C)C(C)CC(C)C.
What is the InChIKey of 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide?
The InChIKey is OLADTISMDHCCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8(2)7-9(3)17(4)12-10(11(13)14)15-5-6-16-12/h5-6,8-9H,7H2,1-4H3,(H3,13,14).
What are the key properties of 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide?
3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 62685407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).