ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C18H18N6O2 — CID 23646537

IUPACethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
InChIInChI=1S/C18H18N6O2/c1-3-13-14(18(25)26-4-2)9-24-16(13)17(19-10-21-24)22-12-5-6-15-11(7-12)8-20-23-15/h5-10H,3-4H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyXSFGXVBMHUSTNL-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.09
Rot. Bonds5

About ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 23646537) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID23646537
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Nameethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
InChIInChI=1S/C18H18N6O2/c1-3-13-14(18(25)26-4-2)9-24-16(13)17(19-10-21-24)22-12-5-6-15-11(7-12)8-20-23-15/h5-10H,3-4H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyXSFGXVBMHUSTNL-UHFFFAOYSA-N
XLogP3.09
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 23646537) is ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC.
What is the InChIKey of ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is XSFGXVBMHUSTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-3-13-14(18(25)26-4-2)9-24-16(13)17(19-10-21-24)22-12-5-6-15-11(7-12)8-20-23-15/h5-10H,3-4H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 23646537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).