N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine

C12H17N5 — CID 107173671

IUPACN-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESc1cn2nccc2c(NC2CCCNCC2)n1
InChIInChI=1S/C12H17N5/c1-2-10(3-6-13-5-1)16-12-11-4-7-15-17(11)9-8-14-12/h4,7-10,13H,1-3,5-6H2,(H,14,16)
InChIKeyMAHRYZMNNASYKI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds2

About N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine

N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 107173671) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID107173671
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESc1cn2nccc2c(NC2CCCNCC2)n1
InChIInChI=1S/C12H17N5/c1-2-10(3-6-13-5-1)16-12-11-4-7-15-17(11)9-8-14-12/h4,7-10,13H,1-3,5-6H2,(H,14,16)
InChIKeyMAHRYZMNNASYKI-UHFFFAOYSA-N
XLogP1.28
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734003
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732763
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731945
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
N-(2,3-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731674
N-(1-cyclopentylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446364
N-(2,2,3,3-tetramethylcyclopropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446388
6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934706
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 113446377
N-(1-propan-2-ylimidazol-2-yl)piperidin-4-amine
CID 115026071
N-piperidin-1-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732016
N-(1-phenylimidazol-2-yl)piperidin-4-amine
CID 115044800

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 107173671) is N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine is c1cn2nccc2c(NC2CCCNCC2)n1.
What is the InChIKey of N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is MAHRYZMNNASYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-10(3-6-13-5-1)16-12-11-4-7-15-17(11)9-8-14-12/h4,7-10,13H,1-3,5-6H2,(H,14,16).
What are the key properties of N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 107173671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).