3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine

C13H10N6O — CID 134190176

IUPAC3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2ccc(Nc3[nH]nc4nccnc34)cc12
InChIInChI=1S/C13H10N6O/c1-7-9-6-8(2-3-10(9)20-19-7)16-13-11-12(17-18-13)15-5-4-14-11/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyLHTDECDQYAWXDZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.55
Rot. Bonds2

About 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine

3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine (PubChem CID 134190176) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
PubChem CID134190176
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
SMILESCc1noc2ccc(Nc3[nH]nc4nccnc34)cc12
InChIInChI=1S/C13H10N6O/c1-7-9-6-8(2-3-10(9)20-19-7)16-13-11-12(17-18-13)15-5-4-14-11/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyLHTDECDQYAWXDZ-UHFFFAOYSA-N
XLogP2.55
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
The IUPAC name of 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine (CID 134190176) is 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
The canonical SMILES for 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine is Cc1noc2ccc(Nc3[nH]nc4nccnc34)cc12.
What is the InChIKey of 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
The InChIKey is LHTDECDQYAWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c1-7-9-6-8(2-3-10(9)20-19-7)16-13-11-12(17-18-13)15-5-4-14-11/h2-6H,1H3,(H2,15,16,17,18).
What are the key properties of 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine?
3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine has a molecular weight of 266.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine is sourced from PubChem (CID 134190176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).