2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C10H14N4O — CID 136773958

IUPAC2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(C(C)C)c(C)n2n1
InChIInChI=1S/C10H14N4O/c1-5(2)8-6(3)14-10(12-9(8)15)11-7(4)13-14/h5H,1-4H3,(H,11,12,13,15)
InChIKeyAAKBQTQGJVVLMZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.16
Rot. Bonds1

About 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773958) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773958
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(C(C)C)c(C)n2n1
InChIInChI=1S/C10H14N4O/c1-5(2)8-6(3)14-10(12-9(8)15)11-7(4)13-14/h5H,1-4H3,(H,11,12,13,15)
InChIKeyAAKBQTQGJVVLMZ-UHFFFAOYSA-N
XLogP1.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2-fluoroethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136326852
4-Methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130286675
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
5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135686960
6-(2-aminoethyl)-3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 136310263
6-(2-aminoethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136326795
6-(2-aminoethyl)-7-methyl-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136345047
7-Ethyl-2,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773952
6-(2-hydroxyethyl)-2,7-dimethyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136773953
2-Methyl-7-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773955
2-Methyl-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773956

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773958) is 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)c(C(C)C)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is AAKBQTQGJVVLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-5(2)8-6(3)14-10(12-9(8)15)11-7(4)13-14/h5H,1-4H3,(H,11,12,13,15).
What are the key properties of 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 206.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).