N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

C12H19N5O3 — CID 118739735

IUPACN-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCOCC1CN(C(=O)CNC(C)=O)Cc2ncnn2C1
InChIInChI=1S/C12H19N5O3/c1-9(18)13-3-12(19)16-4-10(7-20-2)5-17-11(6-16)14-8-15-17/h8,10H,3-7H2,1-2H3,(H,13,18)
InChIKeyCSDKSEIUHYXBOO-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.98
Rot. Bonds4

About N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (PubChem CID 118739735) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
PubChem CID118739735
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCOCC1CN(C(=O)CNC(C)=O)Cc2ncnn2C1
InChIInChI=1S/C12H19N5O3/c1-9(18)13-3-12(19)16-4-10(7-20-2)5-17-11(6-16)14-8-15-17/h8,10H,3-7H2,1-2H3,(H,13,18)
InChIKeyCSDKSEIUHYXBOO-UHFFFAOYSA-N
XLogP-0.98
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

4-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
CID 53505697
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 91792781
3-methoxy-N-[1-[7-(2-methylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
CID 45181498
4-acetyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 53514999
N,8-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 58465598
N,8-dimethyl-9-oxo-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 58465657
5,7,8,9-Tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-6-one
CID 69988479
N,N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169126641
N'-(2-methylpropyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]oxamide
CID 17406657
2-(3-cyano-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 46696726
1-(1,4-Diazepan-1-yl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 54982444
2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 55121012

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (CID 118739735) is N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is COCC1CN(C(=O)CNC(C)=O)Cc2ncnn2C1.
What is the InChIKey of N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The InChIKey is CSDKSEIUHYXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-9(18)13-3-12(19)16-4-10(7-20-2)5-17-11(6-16)14-8-15-17/h8,10H,3-7H2,1-2H3,(H,13,18).
What are the key properties of N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 118739735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).