5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide

C11H19N5O — CID 107200173

IUPAC5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N(C)CCCCCO)cn1
InChIInChI=1S/C11H19N5O/c1-16(5-3-2-4-6-17)10-8-14-9(7-15-10)11(12)13/h7-8,17H,2-6H2,1H3,(H3,12,13)
InChIKeyOKZAGMQCFTZXOP-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.36
Rot. Bonds7

About 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide

5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide (PubChem CID 107200173) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide
PubChem CID107200173
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N(C)CCCCCO)cn1
InChIInChI=1S/C11H19N5O/c1-16(5-3-2-4-6-17)10-8-14-9(7-15-10)11(12)13/h7-8,17H,2-6H2,1H3,(H3,12,13)
InChIKeyOKZAGMQCFTZXOP-UHFFFAOYSA-N
XLogP0.36
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
5-[methyl(oxolan-3-yl)amino]pyrazine-2-carboximidamide
CID 82739782
2-bromo-3-fluoro-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107536617
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886
5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
2-[[5-(hydroxymethyl)pyrazin-2-yl]-methylamino]ethanol
CID 107372728
5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
CID 115490174
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265

Frequently Asked Questions

What is the IUPAC name of 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide (CID 107200173) is 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(N(C)CCCCCO)cn1.
What is the InChIKey of 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide?
The InChIKey is OKZAGMQCFTZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(5-3-2-4-6-17)10-8-14-9(7-15-10)11(12)13/h7-8,17H,2-6H2,1H3,(H3,12,13).
What are the key properties of 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide?
5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 107200173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).