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

C7H8N4O — CID 1382020

IUPAC2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3H,1-2H3,(H,8,9,10)
InChIKeyXHALDIFKSJQPGL-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.03
Rot. Bonds

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

2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1382020) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1382020
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C7H8N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3H,1-2H3,(H,8,9,10)
InChIKeyXHALDIFKSJQPGL-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

(1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 5-methyl-
CID 75629
5-Methyltetrazolo[1,5-a]pyrimidin-7-ol
CID 246914
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
6-methyl-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135464837
3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol
CID 665130
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-2-(methylthio)-
CID 101400
[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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1382020) is 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XHALDIFKSJQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3H,1-2H3,(H,8,9,10).
What are the key properties of 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-1H-[1,2,4]triazolo[1,5-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 2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1382020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).