2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone

C18H26N6O2 — CID 131695391

IUPAC2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
SMILESCc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)C(C)C3)cn1
InChIInChI=1S/C18H26N6O2/c1-13-5-6-15(10-19-13)26-12-17-21-20-16-9-14(2)23(7-8-24(16)17)18(25)11-22(3)4/h5-6,10,14H,7-9,11-12H2,1-4H3
InChIKeySMEBLADLDYFJCL-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.90
Rot. Bonds5

About 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone

2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone (PubChem CID 131695391) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
PubChem CID131695391
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
SMILESCc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)C(C)C3)cn1
InChIInChI=1S/C18H26N6O2/c1-13-5-6-15(10-19-13)26-12-17-21-20-16-9-14(2)23(7-8-24(16)17)18(25)11-22(3)4/h5-6,10,14H,7-9,11-12H2,1-4H3
InChIKeySMEBLADLDYFJCL-UHFFFAOYSA-N
XLogP0.90
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone (CID 131695391) is 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone is Cc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)C(C)C3)cn1.
What is the InChIKey of 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone?
The InChIKey is SMEBLADLDYFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-5-6-15(10-19-13)26-12-17-21-20-16-9-14(2)23(7-8-24(16)17)18(25)11-22(3)4/h5-6,10,14H,7-9,11-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone?
2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone has a molecular weight of 358.45 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[8-methyl-3-[(6-methyl-3-pyridinyl)oxymethyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone is sourced from PubChem (CID 131695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).