3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

C18H15N5O — CID 66490703

IUPAC3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nnc3c(-c4ccccc4)cnn3c2N)c1
InChIInChI=1S/C18H15N5O/c1-24-14-9-5-8-13(10-14)16-17(19)23-18(22-21-16)15(11-20-23)12-6-3-2-4-7-12/h2-11H,19H2,1H3
InChIKeyGXPOKKVTXCQMDQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.05
Rot. Bonds3

About 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66490703) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66490703
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nnc3c(-c4ccccc4)cnn3c2N)c1
InChIInChI=1S/C18H15N5O/c1-24-14-9-5-8-13(10-14)16-17(19)23-18(22-21-16)15(11-20-23)12-6-3-2-4-7-12/h2-11H,19H2,1H3
InChIKeyGXPOKKVTXCQMDQ-UHFFFAOYSA-N
XLogP3.05
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 30033155
3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490709
8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490700
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126471747
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5154200
5-(3-methoxyphenyl)pyridine-3,4-diamine
CID 126520592
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)indeno[1,2-c]pyridazin-5-one
CID 10469356
3-methoxy-5-(3-methoxyphenyl)pyridazin-4-amine
CID 117127289
10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine
CID 66485234

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66490703) is 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is COc1cccc(-c2nnc3c(-c4ccccc4)cnn3c2N)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is GXPOKKVTXCQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-14-9-5-8-13(10-14)16-17(19)23-18(22-21-16)15(11-20-23)12-6-3-2-4-7-12/h2-11H,19H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66490703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).