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

C17H17N5O3 — CID 24755187

IUPACmethyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Nc3cc(C(N)=O)ccc3C)c2c1C
InChIInChI=1S/C17H17N5O3/c1-9-4-5-11(15(18)23)6-13(9)21-16-14-10(2)12(17(24)25-3)7-22(14)20-8-19-16/h4-8H,1-3H3,(H2,18,23)(H,19,20,21)
InChIKeyZDGDOXAQILZWIJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.98
Rot. Bonds4

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

methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 24755187) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID24755187
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Namemethyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Nc3cc(C(N)=O)ccc3C)c2c1C
InChIInChI=1S/C17H17N5O3/c1-9-4-5-11(15(18)23)6-13(9)21-16-14-10(2)12(17(24)25-3)7-22(14)20-8-19-16/h4-8H,1-3H3,(H2,18,23)(H,19,20,21)
InChIKeyZDGDOXAQILZWIJ-UHFFFAOYSA-N
XLogP1.98
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

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Related Compounds

Bms-582949
CID 10409068
N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10134493
3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
CID 10048045
4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
CID 10276213
N-benzyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[1,2-a][1,2,4]triazine-6-carboxamide
CID 10138392
4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[1,2-a][1,2,4]triazine-6-carboxamide
CID 10178871
2,4-Difluoro-5-[5-isopropyl-6-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 11442803
Ethyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[1,2-a][1,2,4]triazine-6-carboxylate
CID 16726210
4-[5-[(3-Fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 44449833
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
4-(3-Hydroxy-4-methyl-phenylamino)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid methyl ester
CID 9818223
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 9982079

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 24755187) is methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is COC(=O)c1cn2ncnc(Nc3cc(C(N)=O)ccc3C)c2c1C.
What is the InChIKey of methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is ZDGDOXAQILZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-9-4-5-11(15(18)23)6-13(9)21-16-14-10(2)12(17(24)25-3)7-22(14)20-8-19-16/h4-8H,1-3H3,(H2,18,23)(H,19,20,21).
What are the key properties of methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 339.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 24755187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).