2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide

C20H29N5O — CID 56705994

IUPAC2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide
SMILESCc1cc(C)c(C(=O)NC(c2nnc3n2CCNCC3)C(C)C)c(C)c1
InChIInChI=1S/C20H29N5O/c1-12(2)18(19-24-23-16-6-7-21-8-9-25(16)19)22-20(26)17-14(4)10-13(3)11-15(17)5/h10-12,18,21H,6-9H2,1-5H3,(H,22,26)
InChIKeyPSLDADPNSFWPTK-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.48
Rot. Bonds4

About 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide

2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide (PubChem CID 56705994) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide
PubChem CID56705994
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide
SMILESCc1cc(C)c(C(=O)NC(c2nnc3n2CCNCC3)C(C)C)c(C)c1
InChIInChI=1S/C20H29N5O/c1-12(2)18(19-24-23-16-6-7-21-8-9-25(16)19)22-20(26)17-14(4)10-13(3)11-15(17)5/h10-12,18,21H,6-9H2,1-5H3,(H,22,26)
InChIKeyPSLDADPNSFWPTK-UHFFFAOYSA-N
XLogP2.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide 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 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide (CID 56705994) is 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide is Cc1cc(C)c(C(=O)NC(c2nnc3n2CCNCC3)C(C)C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide?
The InChIKey is PSLDADPNSFWPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-12(2)18(19-24-23-16-6-7-21-8-9-25(16)19)22-20(26)17-14(4)10-13(3)11-15(17)5/h10-12,18,21H,6-9H2,1-5H3,(H,22,26).
What are the key properties of 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide?
2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide has a molecular weight of 355.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]benzamide is sourced from PubChem (CID 56705994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).