3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

C7H8N4O — CID 135984239

IUPAC3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
SMILESCc1cc(=O)[nH]c2nnc(C)n12
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)8-7-10-9-5(2)11(4)7/h3H,1-2H3,(H,8,10,12)
InChIKeyHPWSYAFZNNTZMQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds

About 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one (PubChem CID 135984239) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one.

Molecular Properties

Compound Name3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
PubChem CID135984239
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
SMILESCc1cc(=O)[nH]c2nnc(C)n12
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)8-7-10-9-5(2)11(4)7/h3H,1-2H3,(H,8,10,12)
InChIKeyHPWSYAFZNNTZMQ-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

2,7-Dimethyl(1,2,4)triazolo(1,5-c)pyrimidin-5(6H)-one
CID 135406849
2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
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
5-methyl-3-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135572356
3-methyl-5-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 155811456
7-amino-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 135465167
2-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol
CID 136070207
2-Methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773950
Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773977
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane;(3Z,5Z)-4-ethylhepta-1,3,5-triene
CID 167462224

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
The IUPAC name of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one (CID 135984239) is 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one.
What is the SMILES notation for 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
The canonical SMILES for 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one is Cc1cc(=O)[nH]c2nnc(C)n12.
What is the InChIKey of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
The InChIKey is HPWSYAFZNNTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-3-6(12)8-7-10-9-5(2)11(4)7/h3H,1-2H3,(H,8,10,12).
What are the key properties of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-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 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one is sourced from PubChem (CID 135984239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).