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

C9H12N4O — CID 135572356

IUPAC5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
SMILESCCCc1nnc2[nH]c(=O)cc(C)n12
InChIInChI=1S/C9H12N4O/c1-3-4-7-11-12-9-10-8(14)5-6(2)13(7)9/h5H,3-4H2,1-2H3,(H,10,12,14)
InChIKeyJXTQKEONKHUQPZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.68
Rot. Bonds2

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

5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one (PubChem CID 135572356) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
PubChem CID135572356
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
SMILESCCCc1nnc2[nH]c(=O)cc(C)n12
InChIInChI=1S/C9H12N4O/c1-3-4-7-11-12-9-10-8(14)5-6(2)13(7)9/h5H,3-4H2,1-2H3,(H,10,12,14)
InChIKeyJXTQKEONKHUQPZ-UHFFFAOYSA-N
XLogP0.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.68
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-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
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-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
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
3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 178671821

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one (CID 135572356) is 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one is CCCc1nnc2[nH]c(=O)cc(C)n12.
What is the InChIKey of 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
The InChIKey is JXTQKEONKHUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-7-11-12-9-10-8(14)5-6(2)13(7)9/h5H,3-4H2,1-2H3,(H,10,12,14).
What are the key properties of 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one?
5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one has a molecular weight of 192.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one is sourced from PubChem (CID 135572356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).