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

C23H29ClN10O2 — CID 158526851

IUPAC5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-chloro-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.CC(C)c1c(Cl)nc2nc[nH]n2c1=O
InChIInChI=1S/C15H20N6O.C8H9ClN4O/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;1-4(2)5-6(9)12-8-10-3-11-13(8)7(5)14/h6-9H,1-5H3,(H,16,18,19);3-4H,1-2H3,(H,10,11,12)
InChIKeyHMWRABXCFPLEBN-UHFFFAOYSA-N
MW513.01 g/mol
LogP3.35
Rot. Bonds3

About 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-chloro-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;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 158526851) has the molecular formula C23H29ClN10O2 and a molecular weight of 513.01 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;5-chloro-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;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID158526851
Molecular FormulaC23H29ClN10O2
Molecular Weight513.01 g/mol
Exact Mass512.22
IUPAC Name5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-chloro-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.CC(C)c1c(Cl)nc2nc[nH]n2c1=O
InChIInChI=1S/C15H20N6O.C8H9ClN4O/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;1-4(2)5-6(9)12-8-10-3-11-13(8)7(5)14/h6-9H,1-5H3,(H,16,18,19);3-4H,1-2H3,(H,10,11,12)
InChIKeyHMWRABXCFPLEBN-UHFFFAOYSA-N
XLogP3.35
TPSA143.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.01
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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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;5-chloro-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;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 158526851) is 5-(1-tert-butylpyrazol-4-yl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;5-chloro-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;5-chloro-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;5-chloro-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.CC(C)c1c(Cl)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;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HMWRABXCFPLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.C8H9ClN4O/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;1-4(2)5-6(9)12-8-10-3-11-13(8)7(5)14/h6-9H,1-5H3,(H,16,18,19);3-4H,1-2H3,(H,10,11,12).
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-chloro-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;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 513.01 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 10 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;5-chloro-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 158526851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).