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

C16H20N6O2 — CID 134439348

IUPAC5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(C3CCCCO3)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C16H20N6O2/c1-10(2)13-14(20-16-17-9-19-22(16)15(13)23)11-7-18-21(8-11)12-5-3-4-6-24-12/h7-10,12H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyIBPZBYPUTPKVTM-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.10
Rot. Bonds3

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

5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439348) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439348
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(C3CCCCO3)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C16H20N6O2/c1-10(2)13-14(20-16-17-9-19-22(16)15(13)23)11-7-18-21(8-11)12-5-3-4-6-24-12/h7-10,12H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyIBPZBYPUTPKVTM-UHFFFAOYSA-N
XLogP2.10
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-(1-cyclopropylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155533785
5-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439500
2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
CID 165152448
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 118676645
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439348) is 5-[1-(oxan-2-yl)pyrazol-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-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cnn(C3CCCCO3)c2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IBPZBYPUTPKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10(2)13-14(20-16-17-9-19-22(16)15(13)23)11-7-18-21(8-11)12-5-3-4-6-24-12/h7-10,12H,3-6H2,1-2H3,(H,17,19,20).
What are the key properties of 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 328.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).