N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

C16H26N4O2 — CID 75526894

IUPACN-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
SMILESCN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-18(13-8-4-2-5-9-13)15(21)12-20-16(22)19-11-7-3-6-10-14(19)17-20/h13H,2-12H2,1H3
InChIKeyFGVKQIODIHBNRD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.56
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide (PubChem CID 75526894) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
PubChem CID75526894
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
SMILESCN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-18(13-8-4-2-5-9-13)15(21)12-20-16(22)19-11-7-3-6-10-14(19)17-20/h13H,2-12H2,1H3
InChIKeyFGVKQIODIHBNRD-UHFFFAOYSA-N
XLogP1.56
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide (CID 75526894) is N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide is CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The InChIKey is FGVKQIODIHBNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(13-8-4-2-5-9-13)15(21)12-20-16(22)19-11-7-3-6-10-14(19)17-20/h13H,2-12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide is sourced from PubChem (CID 75526894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).