2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine

C12H10F3N5 — CID 135759118

IUPAC2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine
SMILESCn1cc2c(n1)Nc1ccc(C(F)(F)F)cc1N=C2N
InChIInChI=1S/C12H10F3N5/c1-20-5-7-10(16)17-9-4-6(12(13,14)15)2-3-8(9)18-11(7)19-20/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyZAXZHLVISULUAQ-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.53
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine

2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine (PubChem CID 135759118) has the molecular formula C12H10F3N5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine
PubChem CID135759118
Molecular FormulaC12H10F3N5
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine
SMILESCn1cc2c(n1)Nc1ccc(C(F)(F)F)cc1N=C2N
InChIInChI=1S/C12H10F3N5/c1-20-5-7-10(16)17-9-4-6(12(13,14)15)2-3-8(9)18-11(7)19-20/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyZAXZHLVISULUAQ-UHFFFAOYSA-N
XLogP2.53
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine (CID 135759118) is 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine is Cn1cc2c(n1)Nc1ccc(C(F)(F)F)cc1N=C2N.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
The InChIKey is ZAXZHLVISULUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5/c1-20-5-7-10(16)17-9-4-6(12(13,14)15)2-3-8(9)18-11(7)19-20/h2-5H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine has a molecular weight of 281.24 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine is sourced from PubChem (CID 135759118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).