4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

C13H10N6O — CID 30033155

IUPAC4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESCOc1cccc(-c2cnn3c(N)c(C#N)nnc23)c1
InChIInChI=1S/C13H10N6O/c1-20-9-4-2-3-8(5-9)10-7-16-19-12(15)11(6-14)17-18-13(10)19/h2-5,7H,15H2,1H3
InChIKeyWJQOFALRTONNGA-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.25
Rot. Bonds2

About 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (PubChem CID 30033155) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
PubChem CID30033155
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESCOc1cccc(-c2cnn3c(N)c(C#N)nnc23)c1
InChIInChI=1S/C13H10N6O/c1-20-9-4-2-3-8(5-9)10-7-16-19-12(15)11(6-14)17-18-13(10)19/h2-5,7H,15H2,1H3
InChIKeyWJQOFALRTONNGA-UHFFFAOYSA-N
XLogP1.25
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490703
8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 66495692
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
5-(3-methoxyphenyl)pyridine-3,4-diamine
CID 126520592
5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
CID 139221998
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116859108
1-ethyl-5-(3-methoxyphenyl)triazole-4-carbonitrile
CID 82207275
ethyl 6-amino-5-cyano-13-(4-methoxyphenyl)-11-phenyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carboxylate
CID 15328024
4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 17229108
3-methoxy-5-(3-methoxyphenyl)pyridazin-4-amine
CID 117127289
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The IUPAC name of 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (CID 30033155) is 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.
What is the SMILES notation for 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The canonical SMILES for 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is COc1cccc(-c2cnn3c(N)c(C#N)nnc23)c1.
What is the InChIKey of 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The InChIKey is WJQOFALRTONNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c1-20-9-4-2-3-8(5-9)10-7-16-19-12(15)11(6-14)17-18-13(10)19/h2-5,7H,15H2,1H3.
What are the key properties of 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is sourced from PubChem (CID 30033155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).