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

C15H24N8O — CID 56704503

IUPACN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)CC(NC(=O)Cn1cncn1)c1nnc2n1CCNCC2
InChIInChI=1S/C15H24N8O/c1-11(2)7-12(19-14(24)8-22-10-17-9-18-22)15-21-20-13-3-4-16-5-6-23(13)15/h9-12,16H,3-8H2,1-2H3,(H,19,24)
InChIKeyNHVVVMNPDMCOMP-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.08
Rot. Bonds6

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

N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 56704503) has the molecular formula C15H24N8O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID56704503
Molecular FormulaC15H24N8O
Molecular Weight332.41 g/mol
Exact Mass332.21
IUPAC NameN-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)CC(NC(=O)Cn1cncn1)c1nnc2n1CCNCC2
InChIInChI=1S/C15H24N8O/c1-11(2)7-12(19-14(24)8-22-10-17-9-18-22)15-21-20-13-3-4-16-5-6-23(13)15/h9-12,16H,3-8H2,1-2H3,(H,19,24)
InChIKeyNHVVVMNPDMCOMP-UHFFFAOYSA-N
XLogP-0.08
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]acetamide
CID 56718040
1-amino-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]cyclopropane-1-carboxamide
CID 95215321
N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-1H-pyridine-2-carboxamide
CID 95188594
4-hydroxy-N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]cyclohexane-1-carboxamide
CID 98345937
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1,1-dioxothiane-4-carboxamide
CID 56706597
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 56701409
2-amino-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]pyridine-4-carboxamide
CID 95212966
1-methyl-N-[(1R)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]indole-3-carboxamide
CID 95197148
4-methyl-N-[(1S)-3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]benzenesulfonamide
CID 95197728
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
2-(dimethylamino)-N-[(1S)-3-methyl-1-[7-(3-methylbutanoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]butyl]acetamide
CID 26279229
2-(dimethylamino)-N-[(1R)-3-methyl-1-[7-(3-methylbutanoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]butyl]acetamide
CID 26279227

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 56704503) is N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide is CC(C)CC(NC(=O)Cn1cncn1)c1nnc2n1CCNCC2.
What is the InChIKey of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is NHVVVMNPDMCOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8O/c1-11(2)7-12(19-14(24)8-22-10-17-9-18-22)15-21-20-13-3-4-16-5-6-23(13)15/h9-12,16H,3-8H2,1-2H3,(H,19,24).
What are the key properties of N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56704503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).