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

C7H8N4O — CID 135562688

IUPAC2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)9-7-8-5(2)10-11(4)7/h3H,1-2H3,(H,8,9,10,12)
InChIKeyYWRSMJNEKTYUHA-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds

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

2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 135562688) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID135562688
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)9-7-8-5(2)10-11(4)7/h3H,1-2H3,(H,8,9,10,12)
InChIKeyYWRSMJNEKTYUHA-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-c)pyrimidin-5(6H)-one
CID 135406849
2-((7-Hydroxy-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)isothiourea monohydrochloride
CID 135562713
7-Amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 135906284
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
2-(3,5-diamino-1,2,4-triazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135478878
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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 135562688) is 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)cc(C)n2n1.
What is the InChIKey of 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is YWRSMJNEKTYUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-3-6(12)9-7-8-5(2)10-11(4)7/h3H,1-2H3,(H,8,9,10,12).
What are the key properties of 2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]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-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135562688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).