2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide

C8H10N6O2 — CID 66281988

IUPAC2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide
SMILESCc1nc(NCC(N)=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C8H10N6O2/c1-4-11-6(10-3-5(9)15)2-7-12-13-8(16)14(4)7/h2,10H,3H2,1H3,(H2,9,15)(H,13,16)
InChIKeyHSGAXKFWRXHRPM-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.38
Rot. Bonds3

About 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide

2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide (PubChem CID 66281988) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide
PubChem CID66281988
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide
SMILESCc1nc(NCC(N)=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C8H10N6O2/c1-4-11-6(10-3-5(9)15)2-7-12-13-8(16)14(4)7/h2,10H,3H2,1H3,(H2,9,15)(H,13,16)
InChIKeyHSGAXKFWRXHRPM-UHFFFAOYSA-N
XLogP-1.38
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide?
The IUPAC name of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide (CID 66281988) is 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide.
What is the SMILES notation for 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide?
The canonical SMILES for 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide is Cc1nc(NCC(N)=O)cc2n[nH]c(=O)n12.
What is the InChIKey of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide?
The InChIKey is HSGAXKFWRXHRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-4-11-6(10-3-5(9)15)2-7-12-13-8(16)14(4)7/h2,10H,3H2,1H3,(H2,9,15)(H,13,16).
What are the key properties of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide?
2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide has a molecular weight of 222.21 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]acetamide is sourced from PubChem (CID 66281988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).