N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide

C10H14N6O — CID 104730261

IUPACN'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)c1nccn2nccc12
InChIInChI=1S/C10H14N6O/c1-15(6-3-9(11)14-17)10-8-2-4-13-16(8)7-5-12-10/h2,4-5,7,17H,3,6H2,1H3,(H2,11,14)
InChIKeyNMCHESGKXRQQER-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.30
Rot. Bonds4

About N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide

N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide (PubChem CID 104730261) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide
PubChem CID104730261
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)c1nccn2nccc12
InChIInChI=1S/C10H14N6O/c1-15(6-3-9(11)14-17)10-8-2-4-13-16(8)7-5-12-10/h2,4-5,7,17H,3,6H2,1H3,(H2,11,14)
InChIKeyNMCHESGKXRQQER-UHFFFAOYSA-N
XLogP0.30
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
N'-hydroxy-3-[(7-hydroxyisoquinolin-1-yl)-methylamino]propanimidamide
CID 106537033
3-[(5-bromoisoquinolin-1-yl)-methylamino]-N'-hydroxypropanimidamide
CID 106537032
N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732904
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640
N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
CID 43186264
N'-ethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729830
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
3-[(5-bromopyrimidin-4-yl)-methylamino]-N'-hydroxypropanimidamide
CID 77126226
ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733386
N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733810
N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide (CID 104730261) is N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide is CN(CC/C(N)=N/O)c1nccn2nccc12.
What is the InChIKey of N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide?
The InChIKey is NMCHESGKXRQQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-15(6-3-9(11)14-17)10-8-2-4-13-16(8)7-5-12-10/h2,4-5,7,17H,3,6H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide has a molecular weight of 234.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide is sourced from PubChem (CID 104730261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).