2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide

C13H20N6O2 — CID 137104610

IUPAC2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C(N)C3CCOCC3)c12
InChIInChI=1S/C13H20N6O2/c1-7-9-11(16-17-12(9)19(2)18-7)15-13(20)10(14)8-3-5-21-6-4-8/h8,10H,3-6,14H2,1-2H3,(H2,15,16,17,20)
InChIKeyMAXLIEMJKYKMDL-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.30
Rot. Bonds3

About 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide

2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide (PubChem CID 137104610) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide
PubChem CID137104610
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C(N)C3CCOCC3)c12
InChIInChI=1S/C13H20N6O2/c1-7-9-11(16-17-12(9)19(2)18-7)15-13(20)10(14)8-3-5-21-6-4-8/h8,10H,3-6,14H2,1-2H3,(H2,15,16,17,20)
InChIKeyMAXLIEMJKYKMDL-UHFFFAOYSA-N
XLogP0.30
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide (CID 137104610) is 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide is Cc1nn(C)c2n[nH]c(NC(=O)C(N)C3CCOCC3)c12.
What is the InChIKey of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is MAXLIEMJKYKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-7-9-11(16-17-12(9)19(2)18-7)15-13(20)10(14)8-3-5-21-6-4-8/h8,10H,3-6,14H2,1-2H3,(H2,15,16,17,20).
What are the key properties of 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide?
2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 137104610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).