Adinazolam

C19H18ClN5 — CID 37632

IUPAC1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
InChIInChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKeyGJSLOMWRLALDCT-UHFFFAOYSA-N
MW351.80 g/mol
LogP1.60
Rot. Bonds3

About Adinazolam

Adinazolam (PubChem CID 37632) has the molecular formula C19H18ClN5 and a molecular weight of 351.80 g/mol. Its IUPAC name is 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound NameAdinazolam
PubChem CID37632
Molecular FormulaC19H18ClN5
Molecular Weight351.80 g/mol
Exact Mass351.13
IUPAC Name1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
InChIInChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKeyGJSLOMWRLALDCT-UHFFFAOYSA-N
XLogP1.60
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity490

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Adinazolam?
The IUPAC name of Adinazolam (CID 37632) is 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for Adinazolam?
The canonical SMILES for Adinazolam is CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.
What is the InChIKey of Adinazolam?
The InChIKey is GJSLOMWRLALDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3.
What are the key properties of Adinazolam?
Adinazolam has a molecular weight of 351.80 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Adinazolam is sourced from PubChem (CID 37632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).