N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide

C8H10N6O2 — CID 3318957

IUPACN-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide
SMILESCC(=O)Nc1nnc2n1NC(C)=CC(=O)N2
InChIInChI=1S/C8H10N6O2/c1-4-3-6(16)10-8-12-11-7(9-5(2)15)14(8)13-4/h3,13H,1-2H3,(H,9,11,15)(H,10,12,16)
InChIKeyPOBJBFIFZXXUFY-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.36
Rot. Bonds1

About N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide

N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide (PubChem CID 3318957) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide
PubChem CID3318957
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC NameN-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide
SMILESCC(=O)Nc1nnc2n1NC(C)=CC(=O)N2
InChIInChI=1S/C8H10N6O2/c1-4-3-6(16)10-8-12-11-7(9-5(2)15)14(8)13-4/h3,13H,1-2H3,(H,9,11,15)(H,10,12,16)
InChIKeyPOBJBFIFZXXUFY-UHFFFAOYSA-N
XLogP-0.36
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide?
The IUPAC name of N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide (CID 3318957) is N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide.
What is the SMILES notation for N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide?
The canonical SMILES for N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide is CC(=O)Nc1nnc2n1NC(C)=CC(=O)N2.
What is the InChIKey of N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide?
The InChIKey is POBJBFIFZXXUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-4-3-6(16)10-8-12-11-7(9-5(2)15)14(8)13-4/h3,13H,1-2H3,(H,9,11,15)(H,10,12,16).
What are the key properties of N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide?
N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide has a molecular weight of 222.21 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-8-oxo-5,9-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)acetamide is sourced from PubChem (CID 3318957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).