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

C11H10ClN5 — CID 135759095

IUPAC7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine
SMILESCn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N
InChIInChI=1S/C11H10ClN5/c1-17-5-7-10(13)14-9-4-6(12)2-3-8(9)15-11(7)16-17/h2-5H,1H3,(H2,13,14)(H,15,16)
InChIKeyXGECVIALSVGJCT-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.17
Rot. Bonds

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

7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine (PubChem CID 135759095) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine.

Molecular Properties

Compound Name7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine
PubChem CID135759095
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine
SMILESCn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N
InChIInChI=1S/C11H10ClN5/c1-17-5-7-10(13)14-9-4-6(12)2-3-8(9)15-11(7)16-17/h2-5H,1H3,(H2,13,14)(H,15,16)
InChIKeyXGECVIALSVGJCT-UHFFFAOYSA-N
XLogP2.17
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
The IUPAC name of 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine (CID 135759095) is 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine.
What is the SMILES notation for 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
The canonical SMILES for 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine is Cn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N.
What is the InChIKey of 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
The InChIKey is XGECVIALSVGJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-17-5-7-10(13)14-9-4-6(12)2-3-8(9)15-11(7)16-17/h2-5H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine?
7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine has a molecular weight of 247.69 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-10H-pyrazolo[3,4-b][1,5]benzodiazepin-4-amine is sourced from PubChem (CID 135759095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).