2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

C7H8N4O — CID 135406849

IUPAC2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1nc2cc(C)[nH]c(=O)n2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6-9-5(2)10-11(6)7(12)8-4/h3H,1-2H3,(H,8,12)
InChIKeyBLKLKVONQDFOTO-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds

About 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (PubChem CID 135406849) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
PubChem CID135406849
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1nc2cc(C)[nH]c(=O)n2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6-9-5(2)10-11(6)7(12)8-4/h3H,1-2H3,(H,8,12)
InChIKeyBLKLKVONQDFOTO-UHFFFAOYSA-N
XLogP0.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-tert-butyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 176739011
7-chloro-2,3-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-3-ium-5-one
CID 123952163
7-Chloro-2-ethyl[1,2,4]triazolo[1,5-c]pyrimidin-5-ol
CID 136122887
7-Methyl[1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
CID 136815158
7-Chloro-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5(3H)-one
CID 136934030
2-ethyl-7-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 137186204
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane
CID 167462298
N-(2-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)formamide
CID 135578021
7-amino-2-methyl[1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
CID 135578022
7-bromo-2-methyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 136321744

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The IUPAC name of 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (CID 135406849) is 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is Cc1nc2cc(C)[nH]c(=O)n2n1.
What is the InChIKey of 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The InChIKey is BLKLKVONQDFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-3-6-9-5(2)10-11(6)7(12)8-4/h3H,1-2H3,(H,8,12).
What are the key properties of 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one has a molecular weight of 164.17 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 135406849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).