3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide

C10H17N5O — CID 62684546

IUPAC3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCO)C(C)C
InChIInChI=1S/C10H17N5O/c1-7(2)15(5-6-16)10-8(9(11)12)13-3-4-14-10/h3-4,7,16H,5-6H2,1-2H3,(H3,11,12)
InChIKeyAAFCVHVXBXCVNT-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.03
Rot. Bonds5

About 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide

3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide (PubChem CID 62684546) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
PubChem CID62684546
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCO)C(C)C
InChIInChI=1S/C10H17N5O/c1-7(2)15(5-6-16)10-8(9(11)12)13-3-4-14-10/h3-4,7,16H,5-6H2,1-2H3,(H3,11,12)
InChIKeyAAFCVHVXBXCVNT-UHFFFAOYSA-N
XLogP-0.03
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.03
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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Related Compounds

3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
CID 103189183
3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide
CID 62685407
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
2-[(3-aminopyrazin-2-yl)-propan-2-ylamino]ethanol
CID 102986225
3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
CID 55104553
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
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
CID 102862992
6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
CID 64594960
3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
CID 55227879

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide (CID 62684546) is 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(CCO)C(C)C.
What is the InChIKey of 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide?
The InChIKey is AAFCVHVXBXCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7(2)15(5-6-16)10-8(9(11)12)13-3-4-14-10/h3-4,7,16H,5-6H2,1-2H3,(H3,11,12).
What are the key properties of 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide?
3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 62684546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).