4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine

C14H22N6 — CID 104729861

IUPAC4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
SMILESNCCCCN1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C14H22N6/c15-4-1-2-7-18-9-11-19(12-10-18)14-13-3-5-17-20(13)8-6-16-14/h3,5-6,8H,1-2,4,7,9-12,15H2
InChIKeyZWWZDMWZIQCQPD-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.59
Rot. Bonds5

About 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine

4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine (PubChem CID 104729861) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
PubChem CID104729861
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
SMILESNCCCCN1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C14H22N6/c15-4-1-2-7-18-9-11-19(12-10-18)14-13-3-5-17-20(13)8-6-16-14/h3,5-6,8H,1-2,4,7,9-12,15H2
InChIKeyZWWZDMWZIQCQPD-UHFFFAOYSA-N
XLogP0.59
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-chloroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446610
4-[4-(2-chloroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446615
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 166605461
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 106875241
4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830011
4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 172881764
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
4-(4-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-ol
CID 163350499
4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 154829132

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine (CID 104729861) is 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine is NCCCCN1CCN(c2nccn3nccc23)CC1.
What is the InChIKey of 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is ZWWZDMWZIQCQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c15-4-1-2-7-18-9-11-19(12-10-18)14-13-3-5-17-20(13)8-6-16-14/h3,5-6,8H,1-2,4,7,9-12,15H2.
What are the key properties of 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine?
4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 104729861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).