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

C12H12N6O — CID 134439529

IUPAC6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cncnc2)nc2nc[nH]n2c1=O
InChIInChI=1S/C12H12N6O/c1-7(2)9-10(8-3-13-5-14-4-8)17-12-15-6-16-18(12)11(9)19/h3-7H,1-2H3,(H,15,16,17)
InChIKeyNQNQWMIRUZSZDK-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.00
Rot. Bonds2

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

6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439529) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439529
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cncnc2)nc2nc[nH]n2c1=O
InChIInChI=1S/C12H12N6O/c1-7(2)9-10(8-3-13-5-14-4-8)17-12-15-6-16-18(12)11(9)19/h3-7H,1-2H3,(H,15,16,17)
InChIKeyNQNQWMIRUZSZDK-UHFFFAOYSA-N
XLogP1.00
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439529) is 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cncnc2)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NQNQWMIRUZSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7(2)9-10(8-3-13-5-14-4-8)17-12-15-6-16-18(12)11(9)19/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 256.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-pyrimidin-5-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).