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

C12H10N4O — CID 134063773

IUPAC2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1nc(-c2ccccc2)n2nccc2n1
InChIInChI=1S/C12H10N4O/c1-17-12-14-10-7-8-13-16(10)11(15-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyBCHFSPLJZZPNOP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.80
Rot. Bonds2

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

2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 134063773) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID134063773
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1nc(-c2ccccc2)n2nccc2n1
InChIInChI=1S/C12H10N4O/c1-17-12-14-10-7-8-13-16(10)11(15-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyBCHFSPLJZZPNOP-UHFFFAOYSA-N
XLogP1.80
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 124908703
5-methoxy-2-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135949504
2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065
5,7-dichloro-6-phenylpyrazolo[1,5-a]pyrimidine
CID 59427807
7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84674888
2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine
CID 67650359
3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490701
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727133
7-[(3R)-3-methoxypyrrolidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 95861445
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine (CID 134063773) is 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine is COc1nc(-c2ccccc2)n2nccc2n1.
What is the InChIKey of 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is BCHFSPLJZZPNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-14-10-7-8-13-16(10)11(15-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine?
2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 226.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 134063773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).