2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

C15H20N4O3 — CID 126809972

IUPAC2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3COC4(CCOCC4)O3)nccn2n1
InChIInChI=1S/C15H20N4O3/c1-11-8-13-14(16-4-5-19(13)18-11)17-9-12-10-21-15(22-12)2-6-20-7-3-15/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyNONSESNKKGVSAT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.37
Rot. Bonds3

About 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 126809972) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID126809972
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3COC4(CCOCC4)O3)nccn2n1
InChIInChI=1S/C15H20N4O3/c1-11-8-13-14(16-4-5-19(13)18-11)17-9-12-10-21-15(22-12)2-6-20-7-3-15/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,16,17)
InChIKeyNONSESNKKGVSAT-UHFFFAOYSA-N
XLogP1.37
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine with MolForge

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Related Compounds

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CID 113446299
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 107389458
2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
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N-[(4-aminocyclohexyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106128757
3,5-dichloro-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
CID 124847947
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
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N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-4-amine
CID 113446412
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730858
2-methyl-N-[2-(oxan-2-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104925300
N-[(1-ethylcyclobutyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104924692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 126809972) is 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC3COC4(CCOCC4)O3)nccn2n1.
What is the InChIKey of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is NONSESNKKGVSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11-8-13-14(16-4-5-19(13)18-11)17-9-12-10-21-15(22-12)2-6-20-7-3-15/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 126809972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).