2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H16N4O — CID 113446299

IUPAC2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3CCOC3)nccn2n1
InChIInChI=1S/C12H16N4O/c1-9-6-11-12(13-3-4-16(11)15-9)14-7-10-2-5-17-8-10/h3-4,6,10H,2,5,7-8H2,1H3,(H,13,14)
InChIKeyVLNQSXIXACVRST-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds3

About 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113446299) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113446299
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3CCOC3)nccn2n1
InChIInChI=1S/C12H16N4O/c1-9-6-11-12(13-3-4-16(11)15-9)14-7-10-2-5-17-8-10/h3-4,6,10H,2,5,7-8H2,1H3,(H,13,14)
InChIKeyVLNQSXIXACVRST-UHFFFAOYSA-N
XLogP1.49
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 113446299) is 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC3CCOC3)nccn2n1.
What is the InChIKey of 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is VLNQSXIXACVRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-6-11-12(13-3-4-16(11)15-9)14-7-10-2-5-17-8-10/h3-4,6,10H,2,5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113446299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).