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

C14H18N6O2 — CID 118739433

IUPAC[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCOCC1CN(C(=O)c2cnc(C)cn2)Cc2ncnn2C1
InChIInChI=1S/C14H18N6O2/c1-10-3-16-12(4-15-10)14(21)19-5-11(8-22-2)6-20-13(7-19)17-9-18-20/h3-4,9,11H,5-8H2,1-2H3
InChIKeyOPUFKRKAPXHKNS-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.30
Rot. Bonds3

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

[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 118739433) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID118739433
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCOCC1CN(C(=O)c2cnc(C)cn2)Cc2ncnn2C1
InChIInChI=1S/C14H18N6O2/c1-10-3-16-12(4-15-10)14(21)19-5-11(8-22-2)6-20-13(7-19)17-9-18-20/h3-4,9,11H,5-8H2,1-2H3
InChIKeyOPUFKRKAPXHKNS-UHFFFAOYSA-N
XLogP0.30
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone (CID 118739433) is [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone is COCC1CN(C(=O)c2cnc(C)cn2)Cc2ncnn2C1.
What is the InChIKey of [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is OPUFKRKAPXHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10-3-16-12(4-15-10)14(21)19-5-11(8-22-2)6-20-13(7-19)17-9-18-20/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone?
[6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 302.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 118739433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).