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

C6H7N5O — CID 135465167

IUPAC7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(N)n2n1
InChIInChI=1S/C6H7N5O/c1-3-8-6-9-5(12)2-4(7)11(6)10-3/h2H,7H2,1H3,(H,8,9,10,12)
InChIKeyVOSRESBYHLVUSD-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.69
Rot. Bonds

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

7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 135465167) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID135465167
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(N)n2n1
InChIInChI=1S/C6H7N5O/c1-3-8-6-9-5(12)2-4(7)11(6)10-3/h2H,7H2,1H3,(H,8,9,10,12)
InChIKeyVOSRESBYHLVUSD-UHFFFAOYSA-N
XLogP-0.69
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135984239
2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
7-hydroxy-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 178782748
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135400034
2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135456272
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
CID 135519707
7-Amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 135906284
7-Amino-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-ol hydrochloride
CID 137129998
6-Fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol
CID 165474455
2-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165474501
7-(Difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165483683
7-(Difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165786137

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 135465167) is 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)cc(N)n2n1.
What is the InChIKey of 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VOSRESBYHLVUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-3-8-6-9-5(12)2-4(7)11(6)10-3/h2H,7H2,1H3,(H,8,9,10,12).
What are the key properties of 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 165.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135465167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).