4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

C16H16N6O3 — CID 17229108

IUPAC4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESCOCc1nn2c(N)c(C#N)nnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H16N6O3/c1-23-8-11-14(9-4-5-12(24-2)13(6-9)25-3)16-20-19-10(7-17)15(18)22(16)21-11/h4-6H,8,18H2,1-3H3
InChIKeyNGBBDDIRVPZOBV-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.41
Rot. Bonds5

About 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (PubChem CID 17229108) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
PubChem CID17229108
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESCOCc1nn2c(N)c(C#N)nnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H16N6O3/c1-23-8-11-14(9-4-5-12(24-2)13(6-9)25-3)16-20-19-10(7-17)15(18)22(16)21-11/h4-6H,8,18H2,1-3H3
InChIKeyNGBBDDIRVPZOBV-UHFFFAOYSA-N
XLogP1.41
TPSA120.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 42647785
[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 43864253
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-8-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17198644
ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840787
8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864238
4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 30033155
2-benzylsulfanyl-6-(3,4-dimethoxyphenyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 16653720
3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502899
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56738017
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502561
7-(methoxymethyl)-8-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502562

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The IUPAC name of 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (CID 17229108) is 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.
What is the SMILES notation for 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The canonical SMILES for 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is COCc1nn2c(N)c(C#N)nnc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The InChIKey is NGBBDDIRVPZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-23-8-11-14(9-4-5-12(24-2)13(6-9)25-3)16-20-19-10(7-17)15(18)22(16)21-11/h4-6H,8,18H2,1-3H3.
What are the key properties of 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile has a molecular weight of 340.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is sourced from PubChem (CID 17229108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).