5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H20N6O — CID 134439326

IUPAC5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C15H20N6O/c1-9(2)11-12(10-6-17-20(7-10)15(3,4)5)19-14-16-8-18-21(14)13(11)22/h6-9H,1-5H3,(H,16,18,19)
InChIKeyBYTQWDUCKBMJMU-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.16
Rot. Bonds2

About 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439326) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439326
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C15H20N6O/c1-9(2)11-12(10-6-17-20(7-10)15(3,4)5)19-14-16-8-18-21(14)13(11)22/h6-9H,1-5H3,(H,16,18,19)
InChIKeyBYTQWDUCKBMJMU-UHFFFAOYSA-N
XLogP2.16
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439326) is 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BYTQWDUCKBMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9(2)11-12(10-6-17-20(7-10)15(3,4)5)19-14-16-8-18-21(14)13(11)22/h6-9H,1-5H3,(H,16,18,19).
What are the key properties of 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 300.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).