ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C17H15N5O2 — CID 139231005

IUPACethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2cc(-c3c[nH]c4ccccc34)nn2c1C
InChIInChI=1S/C17H15N5O2/c1-3-24-17(23)16-10(2)22-15(19-20-16)8-14(21-22)12-9-18-13-7-5-4-6-11(12)13/h4-9,18H,3H2,1-2H3
InChIKeyKPBOTYTWBFNDGV-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.76
Rot. Bonds3

About ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 139231005) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID139231005
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Nameethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2cc(-c3c[nH]c4ccccc34)nn2c1C
InChIInChI=1S/C17H15N5O2/c1-3-24-17(23)16-10(2)22-15(19-20-16)8-14(21-22)12-9-18-13-7-5-4-6-11(12)13/h4-9,18H,3H2,1-2H3
InChIKeyKPBOTYTWBFNDGV-UHFFFAOYSA-N
XLogP2.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 139231005) is ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCOC(=O)c1nnc2cc(-c3c[nH]c4ccccc34)nn2c1C.
What is the InChIKey of ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is KPBOTYTWBFNDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-3-24-17(23)16-10(2)22-15(19-20-16)8-14(21-22)12-9-18-13-7-5-4-6-11(12)13/h4-9,18H,3H2,1-2H3.
What are the key properties of ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(1H-indol-3-yl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 139231005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).