N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide

C66H79F3N16O5 — CID 158046851

IUPACN-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESC#Cc1ccc(NC(=O)c2ccn3c(C)nc(C)nc23)cc1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)nc(C)nc23)CC1.Cc1nc(C)n2ccc(C(=O)NC(C)(C)C3CC3)c2n1.Cc1nc(C)n2ccc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C20H30N4O2.C17H14N4O.C15H20N4O.C14H15F3N4O/c1-4-5-6-13-26-17-9-7-16(8-10-17)23-20(25)18-11-12-24-15(3)21-14(2)22-19(18)24;1-4-13-5-7-14(8-6-13)20-17(22)15-9-10-21-12(3)18-11(2)19-16(15)21;1-9-16-10(2)19-8-7-12(13(19)17-9)14(20)18-15(3,4)11-5-6-11;1-7-18-8(2)21-6-5-10(12(21)19-7)13(22)20-11(9-3-4-9)14(15,16)17/h11-12,16-17H,4-10,13H2,1-3H3,(H,23,25);1,5-10H,2-3H3,(H,20,22);7-8,11H,5-6H2,1-4H3,(H,18,20);5-6,9,11H,3-4H2,1-2H3,(H,20,22)
InChIKeyFJADTEOCBRPZEM-UHFFFAOYSA-N
MW1233.46 g/mol
LogP10.86
Rot. Bonds15

About N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide

N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide (PubChem CID 158046851) has the molecular formula C66H79F3N16O5 and a molecular weight of 1233.46 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide
PubChem CID158046851
Molecular FormulaC66H79F3N16O5
Molecular Weight1233.46 g/mol
Exact Mass1232.64
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESC#Cc1ccc(NC(=O)c2ccn3c(C)nc(C)nc23)cc1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)nc(C)nc23)CC1.Cc1nc(C)n2ccc(C(=O)NC(C)(C)C3CC3)c2n1.Cc1nc(C)n2ccc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C20H30N4O2.C17H14N4O.C15H20N4O.C14H15F3N4O/c1-4-5-6-13-26-17-9-7-16(8-10-17)23-20(25)18-11-12-24-15(3)21-14(2)22-19(18)24;1-4-13-5-7-14(8-6-13)20-17(22)15-9-10-21-12(3)18-11(2)19-16(15)21;1-9-16-10(2)19-8-7-12(13(19)17-9)14(20)18-15(3,4)11-5-6-11;1-7-18-8(2)21-6-5-10(12(21)19-7)13(22)20-11(9-3-4-9)14(15,16)17/h11-12,16-17H,4-10,13H2,1-3H3,(H,23,25);1,5-10H,2-3H3,(H,20,22);7-8,11H,5-6H2,1-4H3,(H,18,20);5-6,9,11H,3-4H2,1-2H3,(H,20,22)
InChIKeyFJADTEOCBRPZEM-UHFFFAOYSA-N
XLogP10.86
TPSA246.39 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms90
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001233.46
LogP ≤ 510.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide (CID 158046851) is N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide is C#Cc1ccc(NC(=O)c2ccn3c(C)nc(C)nc23)cc1.CCCCCOC1CCC(NC(=O)c2ccn3c(C)nc(C)nc23)CC1.Cc1nc(C)n2ccc(C(=O)NC(C)(C)C3CC3)c2n1.Cc1nc(C)n2ccc(C(=O)NC(C3CC3)C(F)(F)F)c2n1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
The InChIKey is FJADTEOCBRPZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.C17H14N4O.C15H20N4O.C14H15F3N4O/c1-4-5-6-13-26-17-9-7-16(8-10-17)23-20(25)18-11-12-24-15(3)21-14(2)22-19(18)24;1-4-13-5-7-14(8-6-13)20-17(22)15-9-10-21-12(3)18-11(2)19-16(15)21;1-9-16-10(2)19-8-7-12(13(19)17-9)14(20)18-15(3,4)11-5-6-11;1-7-18-8(2)21-6-5-10(12(21)19-7)13(22)20-11(9-3-4-9)14(15,16)17/h11-12,16-17H,4-10,13H2,1-3H3,(H,23,25);1,5-10H,2-3H3,(H,20,22);7-8,11H,5-6H2,1-4H3,(H,18,20);5-6,9,11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide has a molecular weight of 1233.46 g/mol, XLogP of 10.86, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;2,4-dimethyl-N-(4-pentoxycyclohexyl)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(4-ethynylphenyl)-2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide is sourced from PubChem (CID 158046851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).