4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide

C13H20N6O2 — CID 137095499

IUPAC4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C3(CN)CCOCC3)c12
InChIInChI=1S/C13H20N6O2/c1-8-9-10(16-17-11(9)19(2)18-8)15-12(20)13(7-14)3-5-21-6-4-13/h3-7,14H2,1-2H3,(H2,15,16,17,20)
InChIKeyPKKPIXKLLJTUPM-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.30
Rot. Bonds3

About 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide (PubChem CID 137095499) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide
PubChem CID137095499
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide
SMILESCc1nn(C)c2n[nH]c(NC(=O)C3(CN)CCOCC3)c12
InChIInChI=1S/C13H20N6O2/c1-8-9-10(16-17-11(9)19(2)18-8)15-12(20)13(7-14)3-5-21-6-4-13/h3-7,14H2,1-2H3,(H2,15,16,17,20)
InChIKeyPKKPIXKLLJTUPM-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 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide (CID 137095499) is 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide is Cc1nn(C)c2n[nH]c(NC(=O)C3(CN)CCOCC3)c12.
What is the InChIKey of 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide?
The InChIKey is PKKPIXKLLJTUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-8-9-10(16-17-11(9)19(2)18-8)15-12(20)13(7-14)3-5-21-6-4-13/h3-7,14H2,1-2H3,(H2,15,16,17,20).
What are the key properties of 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide 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 4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 137095499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).