2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide

C18H32N6O2 — CID 45176007

IUPAC2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
SMILESCCC(=O)N1CCc2nnc(C(CC(C)C)NC(=O)CN(C)C)n2CC1
InChIInChI=1S/C18H32N6O2/c1-6-17(26)23-8-7-15-20-21-18(24(15)10-9-23)14(11-13(2)3)19-16(25)12-22(4)5/h13-14H,6-12H2,1-5H3,(H,19,25)
InChIKeyKBZVALSVALITKS-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.84
Rot. Bonds7

About 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide

2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide (PubChem CID 45176007) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
PubChem CID45176007
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
SMILESCCC(=O)N1CCc2nnc(C(CC(C)C)NC(=O)CN(C)C)n2CC1
InChIInChI=1S/C18H32N6O2/c1-6-17(26)23-8-7-15-20-21-18(24(15)10-9-23)14(11-13(2)3)19-16(25)12-22(4)5/h13-14H,6-12H2,1-5H3,(H,19,25)
InChIKeyKBZVALSVALITKS-UHFFFAOYSA-N
XLogP0.84
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentanamide
CID 71897664
2-(Azepan-1-yl)-1-(3-piperidin-3-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethanone
CID 110260214
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 56702284
N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclopentanecarboxamide
CID 36439482
6-oxo-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-3-carboxamide
CID 53521607
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1-(trifluoromethyl)cyclopropanecarboxamide
CID 56715311
5-oxo-1-propan-2-yl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 71897323
N~2~-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-N~1~,N~2~-dimethylglycinamide
CID 91766989
(5S)-N-(2-amino-2-oxoethyl)-3-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
CID 164640172
N-[[7-(2-ethylbutyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 118757002
N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 95210301
N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 95210302

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide (CID 45176007) is 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide is CCC(=O)N1CCc2nnc(C(CC(C)C)NC(=O)CN(C)C)n2CC1.
What is the InChIKey of 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide?
The InChIKey is KBZVALSVALITKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-6-17(26)23-8-7-15-20-21-18(24(15)10-9-23)14(11-13(2)3)19-16(25)12-22(4)5/h13-14H,6-12H2,1-5H3,(H,19,25).
What are the key properties of 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide?
2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-methyl-1-(7-propanoyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide is sourced from PubChem (CID 45176007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).