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

C8H10N4O — CID 6621836

IUPAC2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H10N4O/c1-3-6-10-8-9-5(2)4-7(13)12(8)11-6/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeySYPMBCKXHBWLMY-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.29
Rot. Bonds1

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

2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6621836) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6621836
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H10N4O/c1-3-6-10-8-9-5(2)4-7(13)12(8)11-6/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeySYPMBCKXHBWLMY-UHFFFAOYSA-N
XLogP0.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 5-methyl-
CID 75629
2-methyl-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
2,5-dimethyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 736199
2-amino-5-methyl-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
CID 350273
5-methyl-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 518310
2-(7-Hydroxy-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)acetic acid
CID 706640
6-methyl-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135464837
2-methyl-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 16448740
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 2-(mercaptomethyl)-5-methyl-
CID 3085841
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 930424
5-amino-2-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13396557
2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1382020

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6621836) is 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SYPMBCKXHBWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-6-10-8-9-5(2)4-7(13)12(8)11-6/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 178.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6621836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).