2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

C15H16N4 — CID 12916095

IUPAC2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(CC)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C15H16N4/c1-3-13-16-14(4-2)19-15(17-13)10-12(18-19)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyXKVPDMMNSDDBFY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.92
Rot. Bonds3

About 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916095) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916095
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(CC)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C15H16N4/c1-3-13-16-14(4-2)19-15(17-13)10-12(18-19)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyXKVPDMMNSDDBFY-UHFFFAOYSA-N
XLogP2.92
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
(R)-Zinc-3573
CID 95882507
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3MB-PP1
CID 24865390
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (CID 12916095) is 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is CCc1nc(CC)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is XKVPDMMNSDDBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-13-16-14(4-2)19-15(17-13)10-12(18-19)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 252.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).