ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C18H17N5O2 — CID 69199583

IUPACethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2ncnc(Nc3cc(C#N)ccc3C)c2c1C
InChIInChI=1S/C18H17N5O2/c1-4-25-18(24)14-9-23-16(12(14)3)17(20-10-21-23)22-15-7-13(8-19)6-5-11(15)2/h5-7,9-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyRVJVKDGYMOEYCF-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.14
Rot. Bonds4

About ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 69199583) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID69199583
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Nameethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2ncnc(Nc3cc(C#N)ccc3C)c2c1C
InChIInChI=1S/C18H17N5O2/c1-4-25-18(24)14-9-23-16(12(14)3)17(20-10-21-23)22-15-7-13(8-19)6-5-11(15)2/h5-7,9-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyRVJVKDGYMOEYCF-UHFFFAOYSA-N
XLogP3.14
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
4-(5-amino-2-methylanilino)-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24755389
5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46939848
methyl 5-methyl-4-[2-methyl-5-[(Z)-N'-(methylcarbamoyl)carbamimidoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 143036177
4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10023556
N-ethyl-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methanesulfonic acid
CID 22558499
[ethyl-[3-[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzoyl]carbamoyl]oxymethyl 4-hydroxybenzoate
CID 143537358
4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780436
ethyl 5-methyl-4-(2-methyl-5-nitroanilino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-[2-methyl-5-[(3-methylbenzoyl)amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 158818142
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002351
N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10251577

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 69199583) is ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cn2ncnc(Nc3cc(C#N)ccc3C)c2c1C.
What is the InChIKey of ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is RVJVKDGYMOEYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-4-25-18(24)14-9-23-16(12(14)3)17(20-10-21-23)22-15-7-13(8-19)6-5-11(15)2/h5-7,9-10H,4H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 335.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-cyano-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 69199583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).