N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide

C13H16N6O2 — CID 103121544

IUPACN'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1cnn2ccncc12
InChIInChI=1S/C13H16N6O2/c14-12(17-21)10-3-1-2-5-18(10)13(20)9-7-16-19-6-4-15-8-11(9)19/h4,6-8,10,21H,1-3,5H2,(H2,14,17)
InChIKeyLLTOTZNIAQMQNP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.47
Rot. Bonds2

About N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide

N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide (PubChem CID 103121544) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide
PubChem CID103121544
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1cnn2ccncc12
InChIInChI=1S/C13H16N6O2/c14-12(17-21)10-3-1-2-5-18(10)13(20)9-7-16-19-6-4-15-8-11(9)19/h4,6-8,10,21H,1-3,5H2,(H2,14,17)
InChIKeyLLTOTZNIAQMQNP-UHFFFAOYSA-N
XLogP0.47
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.47
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

[2-(bromomethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122459
[2-(2-bromoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122477
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
CID 138024647
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide (CID 103121544) is N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide is N/C(=N/O)C1CCCCN1C(=O)c1cnn2ccncc12.
What is the InChIKey of N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide?
The InChIKey is LLTOTZNIAQMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-12(17-21)10-3-1-2-5-18(10)13(20)9-7-16-19-6-4-15-8-11(9)19/h4,6-8,10,21H,1-3,5H2,(H2,14,17).
What are the key properties of N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide has a molecular weight of 288.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide is sourced from PubChem (CID 103121544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).