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

C15H18N6O — CID 134439323

IUPAC5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)n1cc(-c2nc3nc[nH]n3c(=O)c2C2CC2)cn1
InChIInChI=1S/C15H18N6O/c1-15(2,3)20-7-10(6-17-20)12-11(9-4-5-9)13(22)21-14(19-12)16-8-18-21/h6-9H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyRVTDDLOELZGMEC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.91
Rot. Bonds2

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

5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439323) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439323
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)n1cc(-c2nc3nc[nH]n3c(=O)c2C2CC2)cn1
InChIInChI=1S/C15H18N6O/c1-15(2,3)20-7-10(6-17-20)12-11(9-4-5-9)13(22)21-14(19-12)16-8-18-21/h6-9H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyRVTDDLOELZGMEC-UHFFFAOYSA-N
XLogP1.91
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.91
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-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439323) is 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)(C)n1cc(-c2nc3nc[nH]n3c(=O)c2C2CC2)cn1.
What is the InChIKey of 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RVTDDLOELZGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-15(2,3)20-7-10(6-17-20)12-11(9-4-5-9)13(22)21-14(19-12)16-8-18-21/h6-9H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(1-tert-butylpyrazol-4-yl)-6-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 298.35 g/mol, XLogP of 1.91, 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-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).