3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide

C12H19N5O — CID 102862992

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCCO)C1CCC1
InChIInChI=1S/C12H19N5O/c13-11(14)10-12(16-6-5-15-10)17(7-2-8-18)9-3-1-4-9/h5-6,9,18H,1-4,7-8H2,(H3,13,14)
InChIKeyACXHRHPVUIJEBH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.50
Rot. Bonds6

About 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide

3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide (PubChem CID 102862992) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
PubChem CID102862992
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCCO)C1CCC1
InChIInChI=1S/C12H19N5O/c13-11(14)10-12(16-6-5-15-10)17(7-2-8-18)9-3-1-4-9/h5-6,9,18H,1-4,7-8H2,(H3,13,14)
InChIKeyACXHRHPVUIJEBH-UHFFFAOYSA-N
XLogP0.50
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide (CID 102862992) is 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide?
The InChIKey is ACXHRHPVUIJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-11(14)10-12(16-6-5-15-10)17(7-2-8-18)9-3-1-4-9/h5-6,9,18H,1-4,7-8H2,(H3,13,14).
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide?
3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 102862992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).