ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C19H22N4O2 — CID 142141908

IUPACethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCC.COC(=O)c1cn2ncnc(N3CCc4ccccc43)c2c1C
InChIInChI=1S/C17H16N4O2.C2H6/c1-11-13(17(22)23-2)9-21-15(11)16(18-10-19-21)20-8-7-12-5-3-4-6-14(12)20;1-2/h3-6,9-10H,7-8H2,1-2H3;1-2H3
InChIKeyJGMWDSVNMXQYMR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.54
Rot. Bonds2

About ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 142141908) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID142141908
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nameethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCC.COC(=O)c1cn2ncnc(N3CCc4ccccc43)c2c1C
InChIInChI=1S/C17H16N4O2.C2H6/c1-11-13(17(22)23-2)9-21-15(11)16(18-10-19-21)20-8-7-12-5-3-4-6-14(12)20;1-2/h3-6,9-10H,7-8H2,1-2H3;1-2H3
InChIKeyJGMWDSVNMXQYMR-UHFFFAOYSA-N
XLogP3.54
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 142141908) is ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CC.COC(=O)c1cn2ncnc(N3CCc4ccccc43)c2c1C.
What is the InChIKey of ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is JGMWDSVNMXQYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.C2H6/c1-11-13(17(22)23-2)9-21-15(11)16(18-10-19-21)20-8-7-12-5-3-4-6-14(12)20;1-2/h3-6,9-10H,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-(2,3-dihydroindol-1-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 142141908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).