(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone

C21H26N6O2 — CID 43832790

IUPAC(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
SMILESCCN1CCN(C(=O)c2nnc3c(-c4ccccc4)c(COC)nn3c2C)CC1
InChIInChI=1S/C21H26N6O2/c1-4-25-10-12-26(13-11-25)21(28)19-15(2)27-20(23-22-19)18(17(24-27)14-29-3)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3
InChIKeyYIIZWHOFCJLMMI-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.02
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone

(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone (PubChem CID 43832790) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
PubChem CID43832790
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
SMILESCCN1CCN(C(=O)c2nnc3c(-c4ccccc4)c(COC)nn3c2C)CC1
InChIInChI=1S/C21H26N6O2/c1-4-25-10-12-26(13-11-25)21(28)19-15(2)27-20(23-22-19)18(17(24-27)14-29-3)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3
InChIKeyYIIZWHOFCJLMMI-UHFFFAOYSA-N
XLogP2.02
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-benzylpiperazin-1-yl)-[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 17035598
[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 43864253
[8-(4-bromophenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 16652945
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820
(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 43865364
(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone
CID 16652911
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone (CID 43832790) is (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone is CCN1CCN(C(=O)c2nnc3c(-c4ccccc4)c(COC)nn3c2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone?
The InChIKey is YIIZWHOFCJLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-4-25-10-12-26(13-11-25)21(28)19-15(2)27-20(23-22-19)18(17(24-27)14-29-3)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone is sourced from PubChem (CID 43832790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).