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

C10H12N4O — CID 137004129

IUPAC2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(C)n2nc(C3CC3)nc2[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-5-6(2)14-10(12-9(5)15)11-8(13-14)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12,13,15)
InChIKeyJTPLFRVYQAMKRC-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.91
Rot. Bonds1

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

2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004129) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004129
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(C)n2nc(C3CC3)nc2[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-5-6(2)14-10(12-9(5)15)11-8(13-14)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12,13,15)
InChIKeyJTPLFRVYQAMKRC-UHFFFAOYSA-N
XLogP0.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5,6-Tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287913
Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773977
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide
CID 135465164
N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135519751
2-methyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135519753
3-cyclopropyl-6-methyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 136107906
7-amino-2-(2-methylpropyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136212273
2-cyclopropyl-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 136292290
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
2,7-Dimethyl-6-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773958

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004129) is 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1c(C)n2nc(C3CC3)nc2[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JTPLFRVYQAMKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-5-6(2)14-10(12-9(5)15)11-8(13-14)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12,13,15).
What are the key properties of 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 204.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).