2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C6H7N5O2 — CID 130560782

IUPAC2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cnc2nc(N)[nH]n2c1=O
InChIInChI=1S/C6H7N5O2/c1-13-3-2-8-6-9-5(7)10-11(6)4(3)12/h2H,1H3,(H3,7,8,9,10)
InChIKeySXSZDPVZGOWXFQ-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.99
Rot. Bonds1

About 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130560782) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130560782
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cnc2nc(N)[nH]n2c1=O
InChIInChI=1S/C6H7N5O2/c1-13-3-2-8-6-9-5(7)10-11(6)4(3)12/h2H,1H3,(H3,7,8,9,10)
InChIKeySXSZDPVZGOWXFQ-UHFFFAOYSA-N
XLogP-0.99
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7-Hydroxy-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl) propanoate
CID 176468727
2-hydrazinyl-5-methoxy-1H-pyrimidin-6-one
CID 140994267
2-Amino-5,6-dimethoxy-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 125451357
2-Amino-6-ethoxy-5-methoxy-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 125454287

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130560782) is 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1cnc2nc(N)[nH]n2c1=O.
What is the InChIKey of 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SXSZDPVZGOWXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-13-3-2-8-6-9-5(7)10-11(6)4(3)12/h2H,1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 181.16 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130560782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).