3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide

C12H19N5O — CID 55104553

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCO)C1CCCC1
InChIInChI=1S/C12H19N5O/c13-11(14)10-12(16-6-5-15-10)17(7-8-18)9-3-1-2-4-9/h5-6,9,18H,1-4,7-8H2,(H3,13,14)
InChIKeyOPUYNSAMBGDFGW-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.50
Rot. Bonds5

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

3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide (PubChem CID 55104553) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
PubChem CID55104553
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CCO)C1CCCC1
InChIInChI=1S/C12H19N5O/c13-11(14)10-12(16-6-5-15-10)17(7-8-18)9-3-1-2-4-9/h5-6,9,18H,1-4,7-8H2,(H3,13,14)
InChIKeyOPUYNSAMBGDFGW-UHFFFAOYSA-N
XLogP0.50
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
CID 102862992
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
CID 62684546
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
CID 107060400
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 63880680

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide (CID 55104553) is 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide?
The InChIKey is OPUYNSAMBGDFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-11(14)10-12(16-6-5-15-10)17(7-8-18)9-3-1-2-4-9/h5-6,9,18H,1-4,7-8H2,(H3,13,14).
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide?
3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 55104553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).